- InChI
- InChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)
- InChI Key
- XUBDXLHGPBQDQM-UHFFFAOYSA-N
- Formula
- C9H9BrClNO
- SMILES
- CC(Cl)C(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 262.53
- 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° | 88.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.015 | Crippen Calculated Property | |
| McVol | 155.200 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | 1733.00 | NIST | |
| Tboil | 644.17 | K | Joback Calculated Property |
| Tc | 885.79 | K | Joback Calculated Property |
| Tfus | 407.44 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.89; 388.91] | J/mol×K | [644.17; 885.79] | 
|
| Cp,gas | 335.89 | J/mol×K | 644.17 | Joback Calculated Property |
| Cp,gas | 346.70 | J/mol×K | 684.44 | Joback Calculated Property |
| Cp,gas | 356.65 | J/mol×K | 724.71 | Joback Calculated Property |
| Cp,gas | 365.79 | J/mol×K | 764.98 | Joback Calculated Property |
| Cp,gas | 374.17 | J/mol×K | 805.25 | Joback Calculated Property |
| Cp,gas | 381.86 | J/mol×K | 845.52 | Joback Calculated Property |
| Cp,gas | 388.91 | J/mol×K | 885.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-bromophenyl)-2-chloro-.
Sources
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