- InChI
- InChI=1S/C18H16Br2O4/c19-15-5-1-3-13(9-15)11-23-17(21)7-8-18(22)24-12-14-4-2-6-16(20)10-14/h1-6,9-10H,7-8,11-12H2
- InChI Key
- MMXNQNZILSAQQK-UHFFFAOYSA-N
- Formula
- C18H16Br2O4
- SMILES
-
O=C(CCC(=O)OCc1cccc(Br)c1)OCc1
cccc(Br)c1 - Molecular Weight1
- 456.12
- 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 | -510.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.778 | Crippen Calculated Property | |
| McVol | 266.840 | ml/mol | McGowan Calculated Property |
| Inp | [3005.00; 3005.00] |
|
|
| Inp | 3005.00 | NIST | |
| Inp | 3005.00 | NIST | |
| Tboil | 678.71 | K | Relay (1.0) Calculated Property |
| Tfus | 342.80 | 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 | [721.42; 763.92] | J/mol×K | [923.52; 1167.85] |
|
| Cp,gas | 721.42 | J/mol×K | 923.52 | Joback Calculated Property |
| Cp,gas | 731.44 | J/mol×K | 964.24 | Joback Calculated Property |
| Cp,gas | 740.20 | J/mol×K | 1004.96 | Joback Calculated Property |
| Cp,gas | 747.76 | J/mol×K | 1045.68 | Joback Calculated Property |
| Cp,gas | 754.19 | J/mol×K | 1086.40 | Joback Calculated Property |
| Cp,gas | 759.56 | J/mol×K | 1127.13 | Joback Calculated Property |
| Cp,gas | 763.92 | J/mol×K | 1167.85 | Joback Calculated Property |
| η | [0.0000351; 0.0003105] | Pa×s | [574.76; 923.52] |
|
| η | 0.0003105 | Pa×s | 574.76 | Joback Calculated Property |
| η | 0.0001827 | Pa×s | 632.89 | Joback Calculated Property |
| η | 0.0001175 | Pa×s | 691.01 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 749.14 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 807.27 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 865.39 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 923.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(3-bromobenzyl) 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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