- InChI
- InChI=1S/C6H8BrCl3O2/c7-3-1-2-5(11)12-4-6(8,9)10/h1-4H2
- InChI Key
- BMKUEJKAWLEGCS-UHFFFAOYSA-N
- Formula
- C6H8BrCl3O2
- SMILES
- O=C(CCCBr)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 298.39
- 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° | -252.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 157.060 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| Inp | 1554.00 | NIST | |
| Tboil | 588.19 | K | Joback Calculated Property |
| Tc | 809.68 | K | Joback Calculated Property |
| Tfus | 381.52 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.20; 348.50] | J/mol×K | [588.19; 809.68] | 
|
| Cp,gas | 306.20 | J/mol×K | 588.19 | Joback Calculated Property |
| Cp,gas | 314.72 | J/mol×K | 625.11 | Joback Calculated Property |
| Cp,gas | 322.60 | J/mol×K | 662.02 | Joback Calculated Property |
| Cp,gas | 329.88 | J/mol×K | 698.94 | Joback Calculated Property |
| Cp,gas | 336.59 | J/mol×K | 735.85 | Joback Calculated Property |
| Cp,gas | 342.79 | J/mol×K | 772.77 | Joback Calculated Property |
| Cp,gas | 348.50 | J/mol×K | 809.68 | Joback Calculated Property |
| η | [0.0002418; 0.0019798] | Pa×s | [381.52; 588.19] |
|
| η | 0.0019798 | Pa×s | 381.52 | Joback Calculated Property |
| η | 0.0012062 | Pa×s | 415.96 | Joback Calculated Property |
| η | 0.0007928 | Pa×s | 450.41 | Joback Calculated Property |
| η | 0.0005531 | Pa×s | 484.86 | Joback Calculated Property |
| η | 0.0004047 | Pa×s | 519.30 | Joback Calculated Property |
| η | 0.0003079 | Pa×s | 553.75 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 588.19 | Joback Calculated Property |
Similar Compounds
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Sources
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