- InChI
- InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
- InChI Key
- PBOPJYORIDJAFE-UHFFFAOYSA-N
- Formula
- C6H3BrN2O4
- SMILES
-
O=[N+]([O-])c1ccc(Br)c([N+](=O
)[O-])c1 - Molecular Weight1
- 247.00
- CAS
- 584-48-5
- Other Names
-
- 1-Bromo-2,4-dinitrobenzene
- 2,4-Dinitrobromobenzene
- 4-Bromo-1,3-dinitrobenzene
- o,p-Dinitrophenyl bromide
- 2,4-Dinitrophenyl bromide
- 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° | 178.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 51.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 2.265 | Crippen Calculated Property | |
| McVol | 123.980 | ml/mol | McGowan Calculated Property |
| Pc | 5102.04 | kPa | Joback Calculated Property |
| Inp | [1755.00; 1755.00] |
|
|
| Inp | 1755.00 | NIST | |
| Inp | 1755.00 | NIST | |
| Tboil | 743.16 | K | Joback Calculated Property |
| Tc | 1035.01 | K | Joback Calculated Property |
| Tfus | 555.86 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.37; 308.69] | J/mol×K | [743.16; 1035.01] |
|
| Cp,gas | 275.37 | J/mol×K | 743.16 | Joback Calculated Property |
| Cp,gas | 282.66 | J/mol×K | 791.80 | Joback Calculated Property |
| Cp,gas | 289.14 | J/mol×K | 840.44 | Joback Calculated Property |
| Cp,gas | 294.92 | J/mol×K | 889.09 | Joback Calculated Property |
| Cp,gas | 300.05 | J/mol×K | 937.73 | Joback Calculated Property |
| Cp,gas | 304.61 | J/mol×K | 986.37 | Joback Calculated Property |
| Cp,gas | 308.69 | J/mol×K | 1035.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2,4-dinitro-.
Sources
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