- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.99; 842.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.26960e+01 | |||
| Coefficient B | 1.59380e+00 | |||
| Coefficient C | -9.46120e-04 | |||
| Coefficient D | 1.82000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 380.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 466.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 541.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 607.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 665.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 714.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 756.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 791.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 819.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 842.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002440; 0.0000433] | Pa×s | [597.30; 846.48] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.41895e+01 | |||
| Coefficient B | 3.50696e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 597.30 | |||
| Temperature range, max. | 846.48 | |||
| η | 0.0002440 | Pa×s | 597.30 | Calculated Property |
| η | 0.0001881 | Pa×s | 624.99 | Calculated Property |
| η | 0.0001483 | Pa×s | 652.67 | Calculated Property |
| η | 0.0001192 | Pa×s | 680.36 | Calculated Property |
| η | 0.0000974 | Pa×s | 708.04 | Calculated Property |
| η | 0.0000809 | Pa×s | 735.73 | Calculated Property |
| η | 0.0000680 | Pa×s | 763.42 | Calculated Property |
| η | 0.0000579 | Pa×s | 791.10 | Calculated Property |
| η | 0.0000499 | Pa×s | 818.79 | Calculated Property |
| η | 0.0000433 | Pa×s | 846.48 | 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
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