- InChI
- InChI=1S/C20H20Br2O4/c21-17-5-1-15(2-6-17)11-13-25-19(23)9-10-20(24)26-14-12-16-3-7-18(22)8-4-16/h1-8H,9-14H2
- InChI Key
- QKUJBWNZIHKZTD-UHFFFAOYSA-N
- Formula
- C20H20Br2O4
- SMILES
-
O=C(CCC(=O)OCCc1ccc(Br)cc1)OCC
c1ccc(Br)cc1 - Molecular Weight1
- 484.18
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfusH° | 54.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.863 | Crippen Calculated Property | |
| McVol | 295.020 | ml/mol | McGowan Calculated Property |
| Inp | [3193.00; 3193.00] |
|
|
| Inp | 3193.00 | NIST | |
| Inp | 3193.00 | NIST | |
| Tboil | 718.92 | K | Relay (1.0) Calculated Property |
| Tfus | 348.96 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [834.39; 878.33] | J/mol×K | [969.28; 1209.25] |
|
| Cp,gas | 834.39 | J/mol×K | 969.28 | Joback Calculated Property |
| Cp,gas | 844.64 | J/mol×K | 1009.28 | Joback Calculated Property |
| Cp,gas | 853.62 | J/mol×K | 1049.27 | Joback Calculated Property |
| Cp,gas | 861.42 | J/mol×K | 1089.27 | Joback Calculated Property |
| Cp,gas | 868.08 | J/mol×K | 1129.26 | Joback Calculated Property |
| Cp,gas | 873.70 | J/mol×K | 1169.26 | Joback Calculated Property |
| Cp,gas | 878.33 | J/mol×K | 1209.25 | Joback Calculated Property |
| η | [0.0000256; 0.0002440] | Pa×s | [597.30; 969.28] |
|
| η | 0.0002440 | Pa×s | 597.30 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 659.30 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 721.29 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 783.29 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 845.29 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 907.28 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 969.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(4-bromophenethyl) 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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