- InChI
- InChI=1S/C13H9Br2NO/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,(H,16,17)
- InChI Key
- SGBIVWDIROQRTM-UHFFFAOYSA-N
- Formula
- C13H9Br2NO
- SMILES
- O=C(Nc1ccc(Br)cc1)c1ccc(Br)cc1
- Molecular Weight1
- 355.02
- 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° | 253.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 132.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.46 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.464 | Crippen Calculated Property | |
| McVol | 193.060 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 796.52 | K | Joback Calculated Property |
| Tc | 1067.35 | K | Joback Calculated Property |
| Tfus | 536.34 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.54; 501.19] | J/mol×K | [796.52; 1067.35] |
|
| Cp,gas | 450.54 | J/mol×K | 796.52 | Joback Calculated Property |
| Cp,gas | 461.07 | J/mol×K | 841.66 | Joback Calculated Property |
| Cp,gas | 470.60 | J/mol×K | 886.80 | Joback Calculated Property |
| Cp,gas | 479.26 | J/mol×K | 931.93 | Joback Calculated Property |
| Cp,gas | 487.17 | J/mol×K | 977.07 | Joback Calculated Property |
| Cp,gas | 494.43 | J/mol×K | 1022.21 | Joback Calculated Property |
| Cp,gas | 501.19 | J/mol×K | 1067.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-bromophenyl)-4-bromo-.
Sources
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