- InChI
- InChI=1S/C5H6Br2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3
- InChI Key
- UWZGBUTYDAIEAS-UHFFFAOYSA-N
- Formula
- C5H6Br2O4
- SMILES
- COC(=O)C(Br)(Br)C(=O)OC
- Molecular Weight1
- 289.91
- Other Names
-
- dimethyl dibromomalonate
- 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).
- Inp : Non-polar retention indices.
- 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 | -605.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.818 | Crippen Calculated Property | |
| McVol | 131.190 | ml/mol | McGowan Calculated Property |
| Inp | 1252.00 | NIST | |
| Tboil | 502.32 | K | Relay (1.0) Calculated Property |
| Tfus | 279.07 | 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 | [256.84; 295.52] | J/mol×K | [559.53; 786.62] | 
|
| Cp,gas | 256.84 | J/mol×K | 559.53 | Joback Calculated Property |
| Cp,gas | 264.93 | J/mol×K | 597.38 | Joback Calculated Property |
| Cp,gas | 272.33 | J/mol×K | 635.23 | Joback Calculated Property |
| Cp,gas | 279.07 | J/mol×K | 673.07 | Joback Calculated Property |
| Cp,gas | 285.16 | J/mol×K | 710.92 | Joback Calculated Property |
| Cp,gas | 290.64 | J/mol×K | 748.77 | Joback Calculated Property |
| Cp,gas | 295.52 | J/mol×K | 786.62 | Joback Calculated Property |
| η | [0.0002173; 0.0026023] | Pa×s | [352.79; 559.53] |
|
| η | 0.0026023 | Pa×s | 352.79 | Joback Calculated Property |
| η | 0.0014311 | Pa×s | 387.25 | Joback Calculated Property |
| η | 0.0008678 | Pa×s | 421.70 | Joback Calculated Property |
| η | 0.0005675 | Pa×s | 456.16 | Joback Calculated Property |
| η | 0.0003940 | Pa×s | 490.62 | Joback Calculated Property |
| η | 0.0002869 | Pa×s | 525.07 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 559.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, dibromo-, dimethyl 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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