- InChI
- InChI=1S/C8H6BrCl2NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
- InChI Key
- JCMYDJFPADBOJV-UHFFFAOYSA-N
- Formula
- C8H6BrCl2NO
- SMILES
- O=C(Nc1ccc(Br)cc1)C(Cl)Cl
- Molecular Weight1
- 282.95
- 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).
- Inp : Non-polar retention indices.
- 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° | 67.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 153.350 | ml/mol | McGowan Calculated Property |
| Pc | 3950.57 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| Tboil | 658.72 | K | Joback Calculated Property |
| Tc | 908.51 | K | Joback Calculated Property |
| Tfus | 426.09 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.51; 352.16] | J/mol×K | [658.72; 908.51] | 
|
| Cp,gas | 309.51 | J/mol×K | 658.72 | Joback Calculated Property |
| Cp,gas | 318.43 | J/mol×K | 700.35 | Joback Calculated Property |
| Cp,gas | 326.54 | J/mol×K | 741.98 | Joback Calculated Property |
| Cp,gas | 333.91 | J/mol×K | 783.61 | Joback Calculated Property |
| Cp,gas | 340.60 | J/mol×K | 825.24 | Joback Calculated Property |
| Cp,gas | 346.66 | J/mol×K | 866.88 | Joback Calculated Property |
| Cp,gas | 352.16 | J/mol×K | 908.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-2,2-dichloro-.
Sources
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