- InChI
- InChI=1S/C13H9BrN2O3/c14-10-4-1-3-9(7-10)13(17)15-11-5-2-6-12(8-11)16(18)19/h1-8H,(H,15,17)
- InChI Key
- OPNCEGSGOXTCMD-UHFFFAOYSA-N
- Formula
- C13H9BrN2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
cccc(Br)c1 - Molecular Weight1
- 321.13
- 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° | 274.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 94.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 192.980 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | [2719.00; 2719.00] |
|
|
| Inp | 2719.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Tboil | 882.20 | K | Joback Calculated Property |
| Tc | 1158.52 | K | Joback Calculated Property |
| Tfus | 620.15 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.66; 550.25] | J/mol×K | [882.20; 1158.52] |
|
| Cp,gas | 505.66 | J/mol×K | 882.20 | Joback Calculated Property |
| Cp,gas | 515.19 | J/mol×K | 928.25 | Joback Calculated Property |
| Cp,gas | 523.72 | J/mol×K | 974.31 | Joback Calculated Property |
| Cp,gas | 531.37 | J/mol×K | 1020.36 | Joback Calculated Property |
| Cp,gas | 538.27 | J/mol×K | 1066.41 | Joback Calculated Property |
| Cp,gas | 544.52 | J/mol×K | 1112.47 | Joback Calculated Property |
| Cp,gas | 550.25 | J/mol×K | 1158.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-3-bromo-.
Sources
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