- InChI
- InChI=1S/C7H12Br2O2/c1-4-7(2,3)11-6(10)5(8)9/h5H,4H2,1-3H3
- InChI Key
- PAVSJRNSWFMTBQ-UHFFFAOYSA-N
- Formula
- C7H12Br2O2
- SMILES
- CCC(C)(C)OC(=O)C(Br)Br
- Molecular Weight1
- 287.98
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -471.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.834 | Crippen Calculated Property | |
| McVol | 151.930 | ml/mol | McGowan Calculated Property |
| Inp | 1221.00 | NIST | |
| I | 1680.00 | NIST | |
| Tboil | 492.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [316.07; 372.65] | J/mol×K | [564.50; 787.92] | 
|
| Cp,gas | 316.07 | J/mol×K | 564.50 | Joback Calculated Property |
| Cp,gas | 327.27 | J/mol×K | 601.74 | Joback Calculated Property |
| Cp,gas | 337.71 | J/mol×K | 638.97 | Joback Calculated Property |
| Cp,gas | 347.42 | J/mol×K | 676.21 | Joback Calculated Property |
| Cp,gas | 356.44 | J/mol×K | 713.45 | Joback Calculated Property |
| Cp,gas | 364.84 | J/mol×K | 750.68 | Joback Calculated Property |
| Cp,gas | 372.65 | J/mol×K | 787.92 | Joback Calculated Property |
| η | [0.0002385; 0.0026608] | Pa×s | [347.83; 564.50] |
|
| η | 0.0026608 | Pa×s | 347.83 | Joback Calculated Property |
| η | 0.0014734 | Pa×s | 383.94 | Joback Calculated Property |
| η | 0.0009032 | Pa×s | 420.05 | Joback Calculated Property |
| η | 0.0005982 | Pa×s | 456.16 | Joback Calculated Property |
| η | 0.0004209 | Pa×s | 492.28 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 528.39 | Joback Calculated Property |
| η | 0.0002385 | Pa×s | 564.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dibromo, 1,1-dimethylpropyl ester.
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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