- InChI
- InChI=1S/C8H6Br2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3
- InChI Key
- PMNMDWCAAWUBOG-UHFFFAOYSA-N
- Formula
- C8H6Br2O2
- SMILES
- CC(=O)Oc1c(Br)cccc1Br
- Molecular Weight1
- 293.94
- Other Names
-
- 2,6-Dibromophenyl acetate
- Acetic acid, 2,6-dibromophenyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -239.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 ± 0.03 | eV | NIST |
| logPoct/wat | 3.137 | Crippen Calculated Property | |
| McVol | 142.260 | ml/mol | McGowan Calculated Property |
| Tboil | 527.62 | K | Relay (1.0) Calculated Property |
| Tfus | 327.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.78; 318.36] | J/mol×K | [609.82; 858.42] | 
|
| Cp,gas | 273.78 | J/mol×K | 609.82 | Joback Calculated Property |
| Cp,gas | 282.98 | J/mol×K | 651.25 | Joback Calculated Property |
| Cp,gas | 291.44 | J/mol×K | 692.69 | Joback Calculated Property |
| Cp,gas | 299.17 | J/mol×K | 734.12 | Joback Calculated Property |
| Cp,gas | 306.22 | J/mol×K | 775.55 | Joback Calculated Property |
| Cp,gas | 312.60 | J/mol×K | 816.99 | Joback Calculated Property |
| Cp,gas | 318.36 | J/mol×K | 858.42 | Joback Calculated Property |
| η | [0.0002149; 0.0012535] | Pa×s | [393.31; 609.82] |
|
| η | 0.0012535 | Pa×s | 393.31 | Joback Calculated Property |
| η | 0.0008257 | Pa×s | 429.40 | Joback Calculated Property |
| η | 0.0005803 | Pa×s | 465.48 | Joback Calculated Property |
| η | 0.0004290 | Pa×s | 501.56 | Joback Calculated Property |
| η | 0.0003303 | Pa×s | 537.65 | Joback Calculated Property |
| η | 0.0002628 | Pa×s | 573.73 | Joback Calculated Property |
| η | 0.0002149 | Pa×s | 609.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to PHENOL, 2,6-DIBROMO-, ACETATE.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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