- InChI
- InChI=1S/C8H12Br2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h5-6H,3-4H2,1-2H3
- InChI Key
- HVICCJCVLLCDFQ-UHFFFAOYSA-N
- Formula
- C8H12Br2O4
- SMILES
- COC(=O)C(Br)CCC(Br)C(=O)OC
- Molecular Weight1
- 331.99
- 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 | 0.6542 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -768.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.640 | Crippen Calculated Property | |
| McVol | 173.460 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 549.71 | K | Relay (1.0) Calculated Property |
| Tc | 734.95 | K | Relay (1.0) Calculated Property |
| Tfus | 363.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | 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 | [389.20; 443.39] | J/mol×K | [630.52; 842.11] | 
|
| Cp,gas | 389.20 | J/mol×K | 630.52 | Joback Calculated Property |
| Cp,gas | 400.05 | J/mol×K | 665.79 | Joback Calculated Property |
| Cp,gas | 410.16 | J/mol×K | 701.05 | Joback Calculated Property |
| Cp,gas | 419.53 | J/mol×K | 736.32 | Joback Calculated Property |
| Cp,gas | 428.19 | J/mol×K | 771.58 | Joback Calculated Property |
| Cp,gas | 436.14 | J/mol×K | 806.85 | Joback Calculated Property |
| Cp,gas | 443.39 | J/mol×K | 842.11 | Joback Calculated Property |
| η | [0.0001336; 0.0029053] | Pa×s | [354.18; 630.52] |
|
| η | 0.0029053 | Pa×s | 354.18 | Joback Calculated Property |
| η | 0.0012944 | Pa×s | 400.24 | Joback Calculated Property |
| η | 0.0006815 | Pa×s | 446.29 | Joback Calculated Property |
| η | 0.0004045 | Pa×s | 492.35 | Joback Calculated Property |
| η | 0.0002625 | Pa×s | 538.41 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 584.46 | Joback Calculated Property |
| η | 0.0001336 | Pa×s | 630.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2,2'-dibromoadipate.
Sources
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