- InChI
- InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
- InChI Key
- HFYPXERYZGFDBD-UHFFFAOYSA-N
- Formula
- C6H5Br2NO
- SMILES
- Nc1cc(Br)c(O)c(Br)c1
- Molecular Weight1
- 266.92
- CAS
- 609-21-2
- Other Names
-
- 4-Amino-2,6-dibromophenol
- 2,6-Dibromo-4-aminophenol
- 3,5-Dibromo-4-hydroxyaniline
- 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 | 0.6336 | Relay (... Calculated Property | |
| ΔfG° | 33.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.31 | kJ/mol | Relay (... Calculated Property |
| IE | 7.66 | eV | Relay (... Calculated Property |
| log10WS | -2.55 | Relay (... Calculated Property | |
| logPoct/wat | 2.499 | Crippen Calculated Property | |
| McVol | 122.490 | ml/mol | McGowan Calculated Property |
| Pc | 7574.60 | kPa | Joback Calculated Property |
| Tboil | 564.55 | K | Relay (... Calculated Property |
| Tc | 867.68 | K | Relay (... Calculated Property |
| Tfus | 421.96 | K | Relay (... Calculated Property |
| Vc | 0.401 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.89; 272.69] | J/mol×K | [658.79; 934.12] | 
|
| Cp,gas | 238.89 | J/mol×K | 658.79 | Joback Calculated Property |
| Cp,gas | 245.28 | J/mol×K | 704.68 | Joback Calculated Property |
| Cp,gas | 251.18 | J/mol×K | 750.57 | Joback Calculated Property |
| Cp,gas | 256.72 | J/mol×K | 796.46 | Joback Calculated Property |
| Cp,gas | 262.06 | J/mol×K | 842.34 | Joback Calculated Property |
| Cp,gas | 267.33 | J/mol×K | 888.23 | Joback Calculated Property |
| Cp,gas | 272.69 | J/mol×K | 934.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-amino-2,6-dibromo-.
Sources
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