- InChI
- InChI=1S/C8H12Cl4O2/c1-2-3-4-5-6(9)14-7(13)8(10,11)12/h6H,2-5H2,1H3
- InChI Key
- AOVWSGNPYRTMSO-UHFFFAOYSA-N
- Formula
- C8H12Cl4O2
- SMILES
- CCCCCC(Cl)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 281.99
- Other Names
-
- 1-Hexanol, 1-chloro, trichloroacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -586.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.29 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.045 | Crippen Calculated Property | |
| McVol | 179.980 | ml/mol | McGowan Calculated Property |
| Inp | [1393.00; 1447.00] |
|
|
| Inp | 1393.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Inp | 1436.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1447.00 | NIST | |
| Inp | 1393.00 | NIST | |
| I | [1821.00; 1844.00] |
|
|
| I | 1821.00 | NIST | |
| I | 1829.00 | NIST | |
| I | 1844.00 | NIST | |
| I | 1821.00 | NIST | |
| Tboil | 514.49 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.46; 441.42] | J/mol×K | [586.91; 794.59] |
|
| Cp,gas | 385.46 | J/mol×K | 586.91 | Joback Calculated Property |
| Cp,gas | 396.61 | J/mol×K | 621.52 | Joback Calculated Property |
| Cp,gas | 406.99 | J/mol×K | 656.14 | Joback Calculated Property |
| Cp,gas | 416.62 | J/mol×K | 690.75 | Joback Calculated Property |
| Cp,gas | 425.55 | J/mol×K | 725.37 | Joback Calculated Property |
| Cp,gas | 433.81 | J/mol×K | 759.98 | Joback Calculated Property |
| Cp,gas | 441.42 | J/mol×K | 794.59 | Joback Calculated Property |
| η | [0.0001691; 0.0042358] | Pa×s | [329.35; 586.91] |
|
| η | 0.0042358 | Pa×s | 329.35 | Joback Calculated Property |
| η | 0.0018173 | Pa×s | 372.28 | Joback Calculated Property |
| η | 0.0009287 | Pa×s | 415.20 | Joback Calculated Property |
| η | 0.0005383 | Pa×s | 458.13 | Joback Calculated Property |
| η | 0.0003425 | Pa×s | 501.06 | Joback Calculated Property |
| η | 0.0002341 | Pa×s | 543.98 | Joback Calculated Property |
| η | 0.0001691 | Pa×s | 586.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chlorohexyl trichloroacetate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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