- InChI
- InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
- InChI Key
- WRGKKASJBOREMB-UHFFFAOYSA-N
- Formula
- C6H3Br3NO2
- SMILES
- O=[N+]([O-])c1cc(Br)ccc1Br
- Molecular Weight1
- 360.81
- CAS
- 3460-18-2
- Other Names
-
- 1,4-dibromo-2-nitrobenzene
- 2,5-dibromonitrobenzene
- 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).
- 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).
- Psub : Sublimation pressure (kPa).
- 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° | 156.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 97.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 62.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.120 | Crippen Calculated Property | |
| McVol | 124.060 | ml/mol | McGowan Calculated Property |
| Pc | 5544.32 | kPa | Joback Calculated Property |
| Tboil | 657.48 | K | Joback Calculated Property |
| Tc | 941.96 | K | Joback Calculated Property |
| Tfus | 472.05 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.96; 263.72] | J/mol×K | [657.48; 941.96] | 
|
| Cp,gas | 229.96 | J/mol×K | 657.48 | Joback Calculated Property |
| Cp,gas | 237.11 | J/mol×K | 704.89 | Joback Calculated Property |
| Cp,gas | 243.55 | J/mol×K | 752.31 | Joback Calculated Property |
| Cp,gas | 249.34 | J/mol×K | 799.72 | Joback Calculated Property |
| Cp,gas | 254.59 | J/mol×K | 847.14 | Joback Calculated Property |
| Cp,gas | 259.35 | J/mol×K | 894.55 | Joback Calculated Property |
| Cp,gas | 263.72 | J/mol×K | 941.96 | Joback Calculated Property |
| ΔsubH | 96.80 ± 0.40 | kJ/mol | 312.00 | NIST |
| Psub | [9.70e-05; 1.07e-03] | kPa | [302.14; 322.14] |
|
| Psub | 9.90e-05 | kPa | 302.14 | Thermoc... |
| Psub | 9.70e-05 | kPa | 302.14 | Thermoc... |
| Psub | 9.70e-05 | kPa | 302.14 | Thermoc... |
| Psub | 1.21e-04 | kPa | 304.16 | Thermoc... |
| Psub | 1.25e-04 | kPa | 304.16 | Thermoc... |
| Psub | 1.23e-04 | kPa | 304.16 | Thermoc... |
| Psub | 1.67e-04 | kPa | 306.15 | Thermoc... |
| Psub | 1.66e-04 | kPa | 306.15 | Thermoc... |
| Psub | 1.63e-04 | kPa | 306.15 | Thermoc... |
| Psub | 2.03e-04 | kPa | 308.15 | Thermoc... |
| Psub | 2.04e-04 | kPa | 308.15 | Thermoc... |
| Psub | 2.05e-04 | kPa | 308.15 | Thermoc... |
| Psub | 2.60e-04 | kPa | 310.14 | Thermoc... |
| Psub | 2.64e-04 | kPa | 310.14 | Thermoc... |
| Psub | 2.61e-04 | kPa | 310.14 | Thermoc... |
| Psub | 3.27e-04 | kPa | 312.14 | Thermoc... |
| Psub | 3.29e-04 | kPa | 312.14 | Thermoc... |
| Psub | 3.32e-04 | kPa | 312.14 | Thermoc... |
| Psub | 4.19e-04 | kPa | 314.14 | Thermoc... |
| Psub | 4.18e-04 | kPa | 314.14 | Thermoc... |
| Psub | 4.18e-04 | kPa | 314.14 | Thermoc... |
| Psub | 5.22e-04 | kPa | 316.14 | Thermoc... |
| Psub | 5.27e-04 | kPa | 316.14 | Thermoc... |
| Psub | 5.24e-04 | kPa | 316.14 | Thermoc... |
| Psub | 6.73e-04 | kPa | 318.15 | Thermoc... |
| Psub | 6.66e-04 | kPa | 318.15 | Thermoc... |
| Psub | 6.75e-04 | kPa | 318.15 | Thermoc... |
| Psub | 8.84e-04 | kPa | 320.15 | Thermoc... |
| Psub | 8.58e-04 | kPa | 320.15 | Thermoc... |
| Psub | 8.38e-04 | kPa | 320.15 | Thermoc... |
| Psub | 1.07e-03 | kPa | 322.14 | Thermoc... |
| Psub | 1.07e-03 | kPa | 322.14 | Thermoc... |
| Psub | 1.06e-03 | kPa | 322.14 | Thermoc... |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dibromo-2-nitro-.
Sources
- Crippen Method
- Crippen Method
- Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
- Joback Method
- McGowan Method
- NIST Webbook
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