- InChI
- InChI=1S/C10H16Cl4O2/c11-7-5-3-1-2-4-6-8-16-9(15)10(12,13)14/h1-8H2
- InChI Key
- QQGWBYRTWYPUTG-UHFFFAOYSA-N
- Formula
- C10H16Cl4O2
- SMILES
- O=C(OCCCCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 310.05
- Other Names
-
- 1-Octanol, 8-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 | -594.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.03 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.479 | Crippen Calculated Property | |
| McVol | 208.160 | ml/mol | McGowan Calculated Property |
| Inp | [1812.00; 1845.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1838.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Inp | 1812.00 | NIST | |
| I | [2446.00; 2491.00] |
|
|
| I | 2446.00 | NIST | |
| I | 2472.00 | NIST | |
| I | 2491.00 | NIST | |
| Tboil | 552.20 | 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 | [480.41; 542.65] | J/mol×K | [633.11; 831.05] |
|
| Cp,gas | 480.41 | J/mol×K | 633.11 | Joback Calculated Property |
| Cp,gas | 492.64 | J/mol×K | 666.10 | Joback Calculated Property |
| Cp,gas | 504.08 | J/mol×K | 699.09 | Joback Calculated Property |
| Cp,gas | 514.77 | J/mol×K | 732.08 | Joback Calculated Property |
| Cp,gas | 524.74 | J/mol×K | 765.07 | Joback Calculated Property |
| Cp,gas | 534.02 | J/mol×K | 798.06 | Joback Calculated Property |
| Cp,gas | 542.65 | J/mol×K | 831.05 | Joback Calculated Property |
| η | [0.0001341; 0.0025439] | Pa×s | [366.89; 633.11] |
|
| η | 0.0025439 | Pa×s | 366.89 | Joback Calculated Property |
| η | 0.0011956 | Pa×s | 411.26 | Joback Calculated Property |
| η | 0.0006510 | Pa×s | 455.63 | Joback Calculated Property |
| η | 0.0003948 | Pa×s | 500.00 | Joback Calculated Property |
| η | 0.0002598 | Pa×s | 544.37 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 588.74 | Joback Calculated Property |
| η | 0.0001341 | Pa×s | 633.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-chlorooctyl 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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