- InChI
- InChI=1S/C9H5Cl4NO/c10-5-2-1-3-6(4-5)14-9(15)7(11)8(12)13/h1-4H,(H,14,15)
- InChI Key
- HLVCGIROEHDIQK-UHFFFAOYSA-N
- Formula
- C9H5Cl4NO
- SMILES
-
O=C(Nc1cccc(Cl)c1)C(Cl)=C(Cl)C
l - Molecular Weight1
- 284.95
- CAS
- 949-53-1
- 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 | 0.5523 | Relay (... Calculated Property | |
| ΔfG° | 103.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -4.60 | Relay (... Calculated Property | |
| logPoct/wat | 4.164 | Crippen Calculated Property | |
| McVol | 170.120 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Tboil | 585.28 | K | Relay (... Calculated Property |
| Tc | 885.69 | K | Relay (... Calculated Property |
| Tfus | 392.73 | K | Relay (... Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.87; 383.81] | J/mol×K | [694.66; 946.73] | 
|
| Cp,gas | 343.87 | J/mol×K | 694.66 | Joback Calculated Property |
| Cp,gas | 352.21 | J/mol×K | 736.67 | Joback Calculated Property |
| Cp,gas | 359.76 | J/mol×K | 778.68 | Joback Calculated Property |
| Cp,gas | 366.61 | J/mol×K | 820.69 | Joback Calculated Property |
| Cp,gas | 372.85 | J/mol×K | 862.71 | Joback Calculated Property |
| Cp,gas | 378.56 | J/mol×K | 904.72 | Joback Calculated Property |
| Cp,gas | 383.81 | J/mol×K | 946.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,3,3'-Tetrachloroacrylanilide.
Sources
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