- InChI
- InChI=1S/C7H12Br2O2/c1-4-7(2,3)11-6(10)5(8)9/h5H,4H2,1-3H3
- InChI Key
- PAVSJRNSWFMTBQ-UHFFFAOYSA-N
- Formula
- C7H12Br2O2
- SMILES
- CCC(C)(C)OC(=O)C(Br)Br
- Molecular Weight1
- 287.98
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -196.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.834 | Crippen Calculated Property | |
| McVol | 151.930 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | 1221.00 | NIST | |
| I | 1680.00 | NIST | |
| Tboil | 564.50 | K | Joback Calculated Property |
| Tc | 787.92 | K | Joback Calculated Property |
| Tfus | 347.83 | K | Joback Calculated Property |
| Vc | 0.558 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.07; 372.65] | J/mol×K | [564.50; 787.92] | 
|
| Cp,gas | 316.07 | J/mol×K | 564.50 | Joback Calculated Property |
| Cp,gas | 327.27 | J/mol×K | 601.74 | Joback Calculated Property |
| Cp,gas | 337.71 | J/mol×K | 638.97 | Joback Calculated Property |
| Cp,gas | 347.42 | J/mol×K | 676.21 | Joback Calculated Property |
| Cp,gas | 356.44 | J/mol×K | 713.45 | Joback Calculated Property |
| Cp,gas | 364.84 | J/mol×K | 750.68 | Joback Calculated Property |
| Cp,gas | 372.65 | J/mol×K | 787.92 | Joback Calculated Property |
| η | [0.0002385; 0.0026608] | Pa×s | [347.83; 564.50] |
|
| η | 0.0026608 | Pa×s | 347.83 | Joback Calculated Property |
| η | 0.0014734 | Pa×s | 383.94 | Joback Calculated Property |
| η | 0.0009032 | Pa×s | 420.05 | Joback Calculated Property |
| η | 0.0005982 | Pa×s | 456.17 | Joback Calculated Property |
| η | 0.0004209 | Pa×s | 492.28 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 528.39 | Joback Calculated Property |
| η | 0.0002385 | Pa×s | 564.50 | Joback Calculated Property |
Similar Compounds
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Sources
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