- InChI
- InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
- InChI Key
- SSIZLKDLDKIHEV-UHFFFAOYSA-N
- Formula
- C6H4Br2O
- SMILES
- Oc1c(Br)cccc1Br
- Molecular Weight1
- 251.90
- CAS
- 608-33-3
- Other Names
-
- 2,6-Dibromophenol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -23.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 83.40 | kJ/mol | Thermoc... |
| ΔvapH° | 57.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.917 | Crippen Calculated Property | |
| McVol | 112.510 | ml/mol | McGowan Calculated Property |
| Pc | 7049.79 | kPa | Joback Calculated Property |
| Inp | [1333.00; 1386.00] |
|
|
| Inp | 1378.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1378.00 | NIST | |
| I | [2365.00; 2370.00] |
|
|
| I | 2365.00 | NIST | |
| I | 2370.00 | NIST | |
| I | 2365.00 | NIST | |
| Tboil | 581.28 | K | Joback Calculated Property |
| Tc | 849.80 | K | Joback Calculated Property |
| Tfus | 427.64 | K | Joback Calculated Property |
| Vc | 0.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.13; 231.54] | J/mol×K | [581.28; 849.80] |
|
| Cp,gas | 199.13 | J/mol×K | 581.28 | Joback Calculated Property |
| Cp,gas | 205.80 | J/mol×K | 626.03 | Joback Calculated Property |
| Cp,gas | 211.78 | J/mol×K | 670.79 | Joback Calculated Property |
| Cp,gas | 217.20 | J/mol×K | 715.54 | Joback Calculated Property |
| Cp,gas | 222.21 | J/mol×K | 760.29 | Joback Calculated Property |
| Cp,gas | 226.94 | J/mol×K | 805.05 | Joback Calculated Property |
| Cp,gas | 231.54 | J/mol×K | 849.80 | Joback Calculated Property |
| η | [0.0000641; 0.0007319] | Pa×s | [427.64; 581.28] |
|
| η | 0.0007319 | Pa×s | 427.64 | Joback Calculated Property |
| η | 0.0004349 | Pa×s | 453.25 | Joback Calculated Property |
| η | 0.0002732 | Pa×s | 478.85 | Joback Calculated Property |
| η | 0.0001800 | Pa×s | 504.46 | Joback Calculated Property |
| η | 0.0001234 | Pa×s | 530.07 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 555.67 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 581.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 528.70 | K | 98.70 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2,6-dibromo-.
Sources
- Crippen Method
- Crippen Method
- Thermochemical study of three dibromophenol isomers
- Joback Method
- McGowan Method
- NIST Webbook
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