- InChI
- InChI=1S/C7H11Br3O2/c1-4-6(2,3)12-5(11)7(8,9)10/h4H2,1-3H3
- InChI Key
- YOEDAVKZAFEGPU-UHFFFAOYSA-N
- Formula
- C7H11Br3O2
- SMILES
- CCC(C)(C)OC(=O)C(Br)(Br)Br
- Molecular Weight1
- 366.87
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -375.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.557 | Crippen Calculated Property | |
| McVol | 169.430 | ml/mol | McGowan Calculated Property |
| Inp | 1428.00 | NIST | |
| Tboil | 512.73 | 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 | [349.59; 399.11] | J/mol×K | [610.00; 853.78] | 
|
| Cp,gas | 349.59 | J/mol×K | 610.00 | Joback Calculated Property |
| Cp,gas | 360.05 | J/mol×K | 650.63 | Joback Calculated Property |
| Cp,gas | 369.50 | J/mol×K | 691.26 | Joback Calculated Property |
| Cp,gas | 378.02 | J/mol×K | 731.89 | Joback Calculated Property |
| Cp,gas | 385.72 | J/mol×K | 772.52 | Joback Calculated Property |
| Cp,gas | 392.72 | J/mol×K | 813.15 | Joback Calculated Property |
| Cp,gas | 399.11 | J/mol×K | 853.78 | Joback Calculated Property |
| η | [0.0001663; 0.0018349] | Pa×s | [395.22; 610.00] |
|
| η | 0.0018349 | Pa×s | 395.22 | Joback Calculated Property |
| η | 0.0010416 | Pa×s | 431.02 | Joback Calculated Property |
| η | 0.0006449 | Pa×s | 466.81 | Joback Calculated Property |
| η | 0.0004275 | Pa×s | 502.61 | Joback Calculated Property |
| η | 0.0002993 | Pa×s | 538.41 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 574.20 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 610.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, tribromo, 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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