- InChI
- InChI=1S/C9H7BrCl3NO/c10-6-1-3-7(4-2-6)14-8(15)9(12,13)5-11/h1-4H,5H2,(H,14,15)
- InChI Key
- MQRNPORKNQYDEL-UHFFFAOYSA-N
- Formula
- C9H7BrCl3NO
- SMILES
- O=C(Nc1ccc(Br)cc1)C(Cl)(Cl)CCl
- Molecular Weight1
- 331.42
- CAS
- 116402-42-7
- 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° | 69.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.800 | Crippen Calculated Property | |
| McVol | 179.680 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Tboil | 716.24 | K | Joback Calculated Property |
| Tc | 972.35 | K | Joback Calculated Property |
| Tfus | 484.70 | K | Joback Calculated Property |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.01; 420.04] | J/mol×K | [716.24; 972.35] | 
|
| Cp,gas | 379.01 | J/mol×K | 716.24 | Joback Calculated Property |
| Cp,gas | 387.66 | J/mol×K | 758.93 | Joback Calculated Property |
| Cp,gas | 395.45 | J/mol×K | 801.61 | Joback Calculated Property |
| Cp,gas | 402.47 | J/mol×K | 844.30 | Joback Calculated Property |
| Cp,gas | 408.83 | J/mol×K | 886.98 | Joback Calculated Property |
| Cp,gas | 414.65 | J/mol×K | 929.67 | Joback Calculated Property |
| Cp,gas | 420.04 | J/mol×K | 972.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(4-bromophenyl)-2,2,3-trichloropropanamide.
Sources
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