- InChI
- InChI=1S/C13H9BrClNO/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,(H,16,17)
- InChI Key
- NJSBTVPSISSHNU-UHFFFAOYSA-N
- Formula
- C13H9BrClNO
- SMILES
- O=C(Nc1cccc(Cl)c1)c1cccc(Br)c1
- Molecular Weight1
- 310.57
- 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° | 227.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.30 | Crippen Calculated Property | |
| logPoct/wat | 4.355 | Crippen Calculated Property | |
| McVol | 187.800 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | 2432.00 | NIST | |
| Tboil | 767.79 | K | Joback Calculated Property |
| Tc | 1030.91 | K | Joback Calculated Property |
| Tfus | 506.46 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.57; 494.80] | J/mol×K | [767.79; 1030.91] | 
|
| Cp,gas | 442.57 | J/mol×K | 767.79 | Joback Calculated Property |
| Cp,gas | 453.58 | J/mol×K | 811.64 | Joback Calculated Property |
| Cp,gas | 463.54 | J/mol×K | 855.50 | Joback Calculated Property |
| Cp,gas | 472.54 | J/mol×K | 899.35 | Joback Calculated Property |
| Cp,gas | 480.69 | J/mol×K | 943.20 | Joback Calculated Property |
| Cp,gas | 488.08 | J/mol×K | 987.06 | Joback Calculated Property |
| Cp,gas | 494.80 | J/mol×K | 1030.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-3-bromo-.
Sources
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