- 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° | 23.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.52 | 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 | 3763.78 | kPa | Joback Calculated Property |
| Tboil | 514.57 | K | Relay (1.0) Calculated Property |
| Tc | 713.26 | K | Relay (1.0) Calculated Property |
| Tfus | 399.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.499 | 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 | [297.16; 342.50] | J/mol×K | [584.76; 803.70] | 
|
| Cp,gas | 297.16 | J/mol×K | 584.76 | Joback Calculated Property |
| Cp,gas | 306.29 | J/mol×K | 621.25 | Joback Calculated Property |
| Cp,gas | 314.78 | J/mol×K | 657.74 | Joback Calculated Property |
| Cp,gas | 322.65 | J/mol×K | 694.23 | Joback Calculated Property |
| Cp,gas | 329.88 | J/mol×K | 730.72 | Joback Calculated Property |
| Cp,gas | 336.50 | J/mol×K | 767.21 | Joback Calculated Property |
| Cp,gas | 342.50 | J/mol×K | 803.70 | Joback Calculated Property |
| η | [0.0001798; 0.0036180] | Pa×s | [331.64; 584.76] |
|
| η | 0.0036180 | Pa×s | 331.64 | Joback Calculated Property |
| η | 0.0016541 | Pa×s | 373.83 | Joback Calculated Property |
| η | 0.0008863 | Pa×s | 416.01 | Joback Calculated Property |
| η | 0.0005327 | Pa×s | 458.20 | Joback Calculated Property |
| η | 0.0003489 | Pa×s | 500.39 | Joback Calculated Property |
| η | 0.0002441 | Pa×s | 542.57 | Joback Calculated Property |
| η | 0.0001798 | Pa×s | 584.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2,3-Dibromo-1,4-butanedioate.
Sources
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