- InChI
- InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
- InChI Key
- WBHYZUAQCSHXCT-UHFFFAOYSA-N
- Formula
- C6H3Br2NO3
- SMILES
-
O=[N+]([O-])c1cc(Br)c(O)c(Br)c
1 - Molecular Weight1
- 296.90
- CAS
- 99-28-5
- Other Names
-
- 2,6-Dibromo-4-nitrophenol
- 4-Nitro-2,6-dibromophenol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6604 | Relay (... Calculated Property | |
| ΔfG° | 2.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Relay (... Calculated Property |
| IE | 9.25 | eV | Relay (... Calculated Property |
| log10WS | -3.74 | Relay (... Calculated Property | |
| logPoct/wat | 2.825 | Crippen Calculated Property | |
| McVol | 129.930 | ml/mol | McGowan Calculated Property |
| Pc | 7014.41 | kPa | Joback Calculated Property |
| Tboil | 543.36 | K | Relay (... Calculated Property |
| Tc | 870.29 | K | Relay (... Calculated Property |
| Tfus | 423.62 | K | Relay (... Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.74; 294.60] | J/mol×K | [738.10; 1028.23] | 
|
| Cp,gas | 260.74 | J/mol×K | 738.10 | Joback Calculated Property |
| Cp,gas | 266.63 | J/mol×K | 786.46 | Joback Calculated Property |
| Cp,gas | 272.19 | J/mol×K | 834.81 | Joback Calculated Property |
| Cp,gas | 277.59 | J/mol×K | 883.17 | Joback Calculated Property |
| Cp,gas | 283.01 | J/mol×K | 931.52 | Joback Calculated Property |
| Cp,gas | 288.63 | J/mol×K | 979.88 | Joback Calculated Property |
| Cp,gas | 294.60 | J/mol×K | 1028.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-dibromo-4-nitro-.
Sources
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