- InChI
- InChI=1S/C8H12Cl4O2/c9-5-3-1-2-4-6-14-7(13)8(10,11)12/h1-6H2
- InChI Key
- SCWOHXIWHLOZJV-UHFFFAOYSA-N
- Formula
- C8H12Cl4O2
- SMILES
- O=C(OCCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 281.99
- Other Names
-
- 6-chlorohexyl trichloroacetate
- 1-Hexanol, 6-chloro, trichloroacetate
- 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° | -262.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.699 | Crippen Calculated Property | |
| McVol | 179.980 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [1576.00; 1645.00] |
|
|
| Inp | 1576.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1645.00 | NIST | |
| I | [2258.00; 2300.00] |
|
|
| I | 2258.00 | NIST | |
| I | 2281.00 | NIST | |
| I | 2300.00 | NIST | |
| I | 2258.00 | NIST | |
| Tboil | 605.22 | K | Joback Calculated Property |
| Tc | 811.00 | K | Joback Calculated Property |
| Tfus | 374.18 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.62; 441.49] | J/mol×K | [605.22; 811.00] |
|
| Cp,gas | 387.62 | J/mol×K | 605.22 | Joback Calculated Property |
| Cp,gas | 398.20 | J/mol×K | 639.52 | Joback Calculated Property |
| Cp,gas | 408.10 | J/mol×K | 673.81 | Joback Calculated Property |
| Cp,gas | 417.34 | J/mol×K | 708.11 | Joback Calculated Property |
| Cp,gas | 425.97 | J/mol×K | 742.41 | Joback Calculated Property |
| Cp,gas | 434.01 | J/mol×K | 776.70 | Joback Calculated Property |
| Cp,gas | 441.49 | J/mol×K | 811.00 | Joback Calculated Property |
| η | [0.0001948; 0.0021596] | Pa×s | [374.18; 605.22] |
|
| η | 0.0021596 | Pa×s | 374.18 | Joback Calculated Property |
| η | 0.0011996 | Pa×s | 412.69 | Joback Calculated Property |
| η | 0.0007367 | Pa×s | 451.19 | Joback Calculated Property |
| η | 0.0004884 | Pa×s | 489.70 | Joback Calculated Property |
| η | 0.0003439 | Pa×s | 528.21 | Joback Calculated Property |
| η | 0.0002539 | Pa×s | 566.71 | Joback Calculated Property |
| η | 0.0001948 | Pa×s | 605.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 6-chlorohexyl ester.
Sources
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