- InChI
- InChI=1S/C7H10Cl4O2/c1-2-3-5(8)4-13-6(12)7(9,10)11/h5H,2-4H2,1H3
- InChI Key
- KLZWAXURZZRALT-UHFFFAOYSA-N
- Formula
- C7H10Cl4O2
- SMILES
- CCCC(Cl)COC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 267.96
- Other Names
-
- 1-Pentanol, 2-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 | -534.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.307 | Crippen Calculated Property | |
| McVol | 165.890 | ml/mol | McGowan Calculated Property |
| Inp | [1348.00; 1398.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | 1393.00 | NIST | |
| Inp | 1398.00 | NIST | |
| I | [1905.00; 1935.00] |
|
|
| I | 1905.00 | NIST | |
| I | 1908.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1935.00 | NIST | |
| Tboil | 513.02 | 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 | [340.15; 391.62] | J/mol×K | [564.03; 775.08] |
|
| Cp,gas | 340.15 | J/mol×K | 564.03 | Joback Calculated Property |
| Cp,gas | 350.47 | J/mol×K | 599.21 | Joback Calculated Property |
| Cp,gas | 360.05 | J/mol×K | 634.38 | Joback Calculated Property |
| Cp,gas | 368.93 | J/mol×K | 669.56 | Joback Calculated Property |
| Cp,gas | 377.12 | J/mol×K | 704.73 | Joback Calculated Property |
| Cp,gas | 384.68 | J/mol×K | 739.91 | Joback Calculated Property |
| Cp,gas | 391.62 | J/mol×K | 775.08 | Joback Calculated Property |
| η | [0.0001961; 0.0047377] | Pa×s | [318.08; 564.03] |
|
| η | 0.0047377 | Pa×s | 318.08 | Joback Calculated Property |
| η | 0.0020583 | Pa×s | 359.07 | Joback Calculated Property |
| η | 0.0010608 | Pa×s | 400.06 | Joback Calculated Property |
| η | 0.0006184 | Pa×s | 441.05 | Joback Calculated Property |
| η | 0.0003951 | Pa×s | 482.05 | Joback Calculated Property |
| η | 0.0002709 | Pa×s | 523.04 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 564.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloropentyl 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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