- InChI
- InChI=1S/C21H22Br2O4/c22-18-8-4-16(5-9-18)12-14-26-20(24)2-1-3-21(25)27-15-13-17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2
- InChI Key
- WGIZTGCIEMOFAQ-UHFFFAOYSA-N
- Formula
- C21H22Br2O4
- SMILES
-
O=C(CCCC(=O)OCCc1ccc(Br)cc1)OC
Cc1ccc(Br)cc1 - Molecular Weight1
- 498.20
- 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° | 56.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.253 | Crippen Calculated Property | |
| McVol | 309.110 | ml/mol | McGowan Calculated Property |
| Inp | [3439.00; 3439.00] |
|
|
| Inp | 3439.00 | NIST | |
| Inp | 3439.00 | NIST | |
| Tboil | 730.48 | K | Relay (1.0) Calculated Property |
| Tfus | 345.36 | 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 | [891.83; 936.27] | J/mol×K | [992.16; 1231.17] |
|
| Cp,gas | 891.83 | J/mol×K | 992.16 | Joback Calculated Property |
| Cp,gas | 902.17 | J/mol×K | 1032.00 | Joback Calculated Property |
| Cp,gas | 911.23 | J/mol×K | 1071.83 | Joback Calculated Property |
| Cp,gas | 919.10 | J/mol×K | 1111.67 | Joback Calculated Property |
| Cp,gas | 925.85 | J/mol×K | 1151.50 | Joback Calculated Property |
| Cp,gas | 931.55 | J/mol×K | 1191.34 | Joback Calculated Property |
| Cp,gas | 936.27 | J/mol×K | 1231.17 | Joback Calculated Property |
| η | [0.0000219; 0.0002155] | Pa×s | [608.57; 992.16] |
|
| η | 0.0002155 | Pa×s | 608.57 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 672.50 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 736.43 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 800.37 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 864.30 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 928.23 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 992.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(4-bromophenyl)ethyl) 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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