- 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
- CAS
- 868-72-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | -427.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.81 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.640 | Crippen Calculated Property | |
| McVol | 173.460 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 666.46 | K | Joback Calculated Property |
| Tc | 882.09 | K | Joback Calculated Property |
| Tfus | 413.84 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.82; 446.82] | J/mol×K | [666.46; 882.09] | 
|
| Cp,gas | 393.82 | J/mol×K | 666.46 | Joback Calculated Property |
| Cp,gas | 404.26 | J/mol×K | 702.40 | Joback Calculated Property |
| Cp,gas | 414.04 | J/mol×K | 738.34 | Joback Calculated Property |
| Cp,gas | 423.18 | J/mol×K | 774.27 | Joback Calculated Property |
| Cp,gas | 431.69 | J/mol×K | 810.21 | Joback Calculated Property |
| Cp,gas | 439.57 | J/mol×K | 846.15 | Joback Calculated Property |
| Cp,gas | 446.82 | J/mol×K | 882.09 | Joback Calculated Property |
| η | [0.0001604; 0.0015070] | Pa×s | [413.84; 666.46] |
|
| η | 0.0015070 | Pa×s | 413.84 | Joback Calculated Property |
| η | 0.0008732 | Pa×s | 455.94 | Joback Calculated Property |
| η | 0.0005549 | Pa×s | 498.05 | Joback Calculated Property |
| η | 0.0003784 | Pa×s | 540.15 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 582.25 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 624.36 | Joback Calculated Property |
| η | 0.0001604 | Pa×s | 666.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2,2'-dibromoadipate.
Sources
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