- InChI
- InChI=1S/C10H16Cl4O2/c1-2-3-5-8(11)6-4-7-16-9(15)10(12,13)14/h8H,2-7H2,1H3
- InChI Key
- SIMDULICMWLYIZ-UHFFFAOYSA-N
- Formula
- C10H16Cl4O2
- SMILES
- CCCCC(Cl)CCCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 310.05
- Other Names
-
- 1-Octanol, 4-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 | -608.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.478 | Crippen Calculated Property | |
| McVol | 208.160 | ml/mol | McGowan Calculated Property |
| Inp | [1713.00; 1746.00] |
|
|
| Inp | 1713.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1736.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1713.00 | NIST | |
| I | [2275.00; 2313.00] |
|
|
| I | 2275.00 | NIST | |
| I | 2296.00 | NIST | |
| I | 2313.00 | NIST | |
| I | 2275.00 | NIST | |
| Tboil | 552.25 | 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 | [480.90; 544.20] | J/mol×K | [632.67; 834.28] |
|
| Cp,gas | 480.90 | J/mol×K | 632.67 | Joback Calculated Property |
| Cp,gas | 493.40 | J/mol×K | 666.27 | Joback Calculated Property |
| Cp,gas | 505.07 | J/mol×K | 699.87 | Joback Calculated Property |
| Cp,gas | 515.95 | J/mol×K | 733.48 | Joback Calculated Property |
| Cp,gas | 526.07 | J/mol×K | 767.08 | Joback Calculated Property |
| Cp,gas | 535.48 | J/mol×K | 800.68 | Joback Calculated Property |
| Cp,gas | 544.20 | J/mol×K | 834.28 | Joback Calculated Property |
| η | [0.0001249; 0.0033384] | Pa×s | [351.89; 632.67] |
|
| η | 0.0033384 | Pa×s | 351.89 | Joback Calculated Property |
| η | 0.0014000 | Pa×s | 398.69 | Joback Calculated Property |
| η | 0.0007047 | Pa×s | 445.48 | Joback Calculated Property |
| η | 0.0004041 | Pa×s | 492.28 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 539.08 | Joback Calculated Property |
| η | 0.0001735 | Pa×s | 585.87 | Joback Calculated Property |
| η | 0.0001249 | Pa×s | 632.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-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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