- InChI
- InChI=1S/C8H7Br2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
- InChI Key
- FDPCSKPUJUALLE-UHFFFAOYSA-N
- Formula
- C8H7Br2NO
- SMILES
- O=C(CBr)Nc1ccc(Br)cc1
- Molecular Weight1
- 292.95
- 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° | 108.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.783 | Crippen Calculated Property | |
| McVol | 146.370 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | 1826.00 | NIST | |
| Tboil | 650.46 | K | Joback Calculated Property |
| Tc | 901.06 | K | Joback Calculated Property |
| Tfus | 441.05 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.87; 342.05] | J/mol×K | [650.46; 901.06] | 
|
| Cp,gas | 296.87 | J/mol×K | 650.46 | Joback Calculated Property |
| Cp,gas | 306.17 | J/mol×K | 692.23 | Joback Calculated Property |
| Cp,gas | 314.66 | J/mol×K | 733.99 | Joback Calculated Property |
| Cp,gas | 322.43 | J/mol×K | 775.76 | Joback Calculated Property |
| Cp,gas | 329.54 | J/mol×K | 817.53 | Joback Calculated Property |
| Cp,gas | 336.06 | J/mol×K | 859.30 | Joback Calculated Property |
| Cp,gas | 342.05 | J/mol×K | 901.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-2-bromo-.
Sources
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