- InChI
- InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
- InChI Key
- ORPVVAKYSXQCJI-UHFFFAOYSA-N
- Formula
- C6H4BrNO2
- SMILES
- O=[N+]([O-])c1ccccc1Br
- Molecular Weight1
- 202.00
- CAS
- 577-19-5
- Other Names
-
- o-Bromonitrobenzene
- 1-Bromo-2-nitrobenzene
- 2-Bromonitrobenzene
- o-Nitrobromobenzene
- 2-Nitrobromobenzene
- o-Nitrophenyl bromide
- 2-Bromo-1-nitrobenzene
- NSC 403836
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| EA | 1.16 ± 0.10 | eV | NIST |
| ΔfG° | 152.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 73.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 85.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 54.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 2.357 | Crippen Calculated Property | |
| McVol | 106.560 | ml/mol | McGowan Calculated Property |
| Pc | 5123.98 | kPa | Joback Calculated Property |
| Inp | 1276.00 | NIST | |
| Tboil | 534.20 | K | NIST |
| Tc | 856.92 | K | Joback Calculated Property |
| Tfus | [310.00; 329.00] | K |
|
| Tfus | 310.00 ± 1.50 | K | NIST |
| Tfus | 329.00 ± 2.00 | K | NIST |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.37; 248.78] | J/mol×K | [586.34; 856.92] |
|
| Cp,gas | 207.37 | J/mol×K | 586.34 | Joback Calculated Property |
| Cp,gas | 216.09 | J/mol×K | 631.44 | Joback Calculated Property |
| Cp,gas | 223.99 | J/mol×K | 676.53 | Joback Calculated Property |
| Cp,gas | 231.15 | J/mol×K | 721.63 | Joback Calculated Property |
| Cp,gas | 237.63 | J/mol×K | 766.73 | Joback Calculated Property |
| Cp,gas | 243.48 | J/mol×K | 811.83 | Joback Calculated Property |
| Cp,gas | 248.78 | J/mol×K | 856.92 | Joback Calculated Property |
| ΔsubH | 85.50 ± 0.30 | kJ/mol | 285.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-nitro-.
Sources
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