- InChI
- InChI=1S/C6H8Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3
- InChI Key
- XQBOXCHKENCESQ-UHFFFAOYSA-N
- Formula
- C6H8Br2O4
- SMILES
- COC(=O)C(Br)C(Br)C(=O)OC
- Molecular Weight1
- 303.93
- Other Names
-
- Butanedicarbonic acid,-2,3-dibromo, dimethyl ester
- Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2R,3R)-rel-
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ω | 0.5734 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -737.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.859 | Crippen Calculated Property | |
| McVol | 145.280 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Tboil | 514.57 | K | Relay (1.0) Calculated Property |
| Tc | 710.69 | K | Relay (1.0) Calculated Property |
| Tfus | 405.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [299.69; 343.77] | J/mol×K | [620.70; 844.02] | 
|
| Cp,gas | 299.69 | J/mol×K | 620.70 | Joback Calculated Property |
| Cp,gas | 308.37 | J/mol×K | 657.92 | Joback Calculated Property |
| Cp,gas | 316.52 | J/mol×K | 695.14 | Joback Calculated Property |
| Cp,gas | 324.14 | J/mol×K | 732.36 | Joback Calculated Property |
| Cp,gas | 331.21 | J/mol×K | 769.58 | Joback Calculated Property |
| Cp,gas | 337.76 | J/mol×K | 806.80 | Joback Calculated Property |
| Cp,gas | 343.77 | J/mol×K | 844.02 | Joback Calculated Property |
| η | [0.0002116; 0.0017841] | Pa×s | [391.30; 620.70] |
|
| η | 0.0017841 | Pa×s | 391.30 | Joback Calculated Property |
| η | 0.0010677 | Pa×s | 429.53 | Joback Calculated Property |
| η | 0.0006949 | Pa×s | 467.77 | Joback Calculated Property |
| η | 0.0004826 | Pa×s | 506.00 | Joback Calculated Property |
| η | 0.0003527 | Pa×s | 544.23 | Joback Calculated Property |
| η | 0.0002687 | Pa×s | 582.47 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 620.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2,3-Dibromo-1,4-butanedioate.
Sources
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