- InChI
- InChI=1S/C6H9Br3O2/c1-3-4(2)11-5(10)6(7,8)9/h4H,3H2,1-2H3
- InChI Key
- OLNZDRWZSBAEIJ-UHFFFAOYSA-N
- Formula
- C6H9Br3O2
- SMILES
- CCC(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° | -190.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.73 | 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 | 4362.63 | kPa | Joback Calculated Property |
| Inp | 1366.00 | NIST | |
| Tboil | 607.78 | K | Joback Calculated Property |
| Tc | 848.93 | K | Joback Calculated Property |
| Tfus | 396.36 | K | Joback Calculated Property |
| Vc | 0.565 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.29; 346.48] | J/mol×K | [607.78; 848.93] | 
|
| Cp,gas | 302.29 | J/mol×K | 607.78 | Joback Calculated Property |
| Cp,gas | 311.30 | J/mol×K | 647.97 | Joback Calculated Property |
| Cp,gas | 319.57 | J/mol×K | 688.16 | Joback Calculated Property |
| Cp,gas | 327.15 | J/mol×K | 728.36 | Joback Calculated Property |
| Cp,gas | 334.12 | J/mol×K | 768.55 | Joback Calculated Property |
| Cp,gas | 340.54 | J/mol×K | 808.74 | Joback Calculated Property |
| Cp,gas | 346.48 | J/mol×K | 848.93 | Joback Calculated Property |
| η | [0.0002206; 0.0017759] | Pa×s | [396.36; 607.78] |
|
| η | 0.0017759 | Pa×s | 396.36 | Joback Calculated Property |
| η | 0.0010885 | Pa×s | 431.60 | Joback Calculated Property |
| η | 0.0007184 | Pa×s | 466.83 | Joback Calculated Property |
| η | 0.0005026 | Pa×s | 502.07 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 537.31 | Joback Calculated Property |
| η | 0.0002807 | Pa×s | 572.54 | Joback Calculated Property |
| η | 0.0002206 | Pa×s | 607.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, tribromo, 1-methylpropyl ester.
Sources
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