- InChI
- InChI=1S/C6H9Br3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
- InChI Key
- NNWAVDRLTUJGLU-UHFFFAOYSA-N
- Formula
- C6H9Br3O2
- SMILES
- CC(C)(C)OC(=O)C(Br)(Br)Br
- Molecular Weight1
- 352.85
- 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.
- 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° | -185.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.167 | Crippen Calculated Property | |
| McVol | 155.340 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Inp | [1297.00; 1297.00] |
|
|
| Inp | 1297.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Tboil | 604.99 | K | Joback Calculated Property |
| Tc | 856.30 | K | Joback Calculated Property |
| Tfus | 413.78 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.72; 349.25] | J/mol×K | [604.99; 856.30] |
|
| Cp,gas | 305.72 | J/mol×K | 604.99 | Joback Calculated Property |
| Cp,gas | 314.90 | J/mol×K | 646.88 | Joback Calculated Property |
| Cp,gas | 323.17 | J/mol×K | 688.76 | Joback Calculated Property |
| Cp,gas | 330.63 | J/mol×K | 730.65 | Joback Calculated Property |
| Cp,gas | 337.39 | J/mol×K | 772.53 | Joback Calculated Property |
| Cp,gas | 343.56 | J/mol×K | 814.42 | Joback Calculated Property |
| Cp,gas | 349.25 | J/mol×K | 856.30 | Joback Calculated Property |
| η | [0.0002105; 0.0015096] | Pa×s | [413.78; 604.99] |
|
| η | 0.0015096 | Pa×s | 413.78 | Joback Calculated Property |
| η | 0.0009667 | Pa×s | 445.65 | Joback Calculated Property |
| η | 0.0006570 | Pa×s | 477.52 | Joback Calculated Property |
| η | 0.0004686 | Pa×s | 509.38 | Joback Calculated Property |
| η | 0.0003478 | Pa×s | 541.25 | Joback Calculated Property |
| η | 0.0002668 | Pa×s | 573.12 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 604.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, tribromo, 1,1-dimethylethyl ester.
Sources
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