- InChI
- InChI=1S/C9H14Cl4O2/c10-6-4-2-1-3-5-7-15-8(14)9(11,12)13/h1-7H2
- InChI Key
- QKQBBAIFCVZRFD-UHFFFAOYSA-N
- Formula
- C9H14Cl4O2
- SMILES
- O=C(OCCCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 296.02
- Other Names
-
- 1-Heptanol, 7-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 | -571.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 194.070 | ml/mol | McGowan Calculated Property |
| Inp | [1714.00; 1745.00] |
|
|
| Inp | 1714.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1736.00 | NIST | |
| Inp | 1745.00 | NIST | |
| I | [2354.00; 2393.00] |
|
|
| I | 2354.00 | NIST | |
| I | 2375.00 | NIST | |
| I | 2393.00 | NIST | |
| Tboil | 542.34 | 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 | [431.94; 490.73] | J/mol×K | [610.23; 810.83] |
|
| Cp,gas | 431.94 | J/mol×K | 610.23 | Joback Calculated Property |
| Cp,gas | 443.54 | J/mol×K | 643.66 | Joback Calculated Property |
| Cp,gas | 454.37 | J/mol×K | 677.10 | Joback Calculated Property |
| Cp,gas | 464.48 | J/mol×K | 710.53 | Joback Calculated Property |
| Cp,gas | 473.88 | J/mol×K | 743.97 | Joback Calculated Property |
| Cp,gas | 482.62 | J/mol×K | 777.40 | Joback Calculated Property |
| Cp,gas | 490.73 | J/mol×K | 810.83 | Joback Calculated Property |
| η | [0.0001559; 0.0028389] | Pa×s | [355.62; 610.23] |
|
| η | 0.0028389 | Pa×s | 355.62 | Joback Calculated Property |
| η | 0.0013525 | Pa×s | 398.06 | Joback Calculated Property |
| η | 0.0007433 | Pa×s | 440.49 | Joback Calculated Property |
| η | 0.0004538 | Pa×s | 482.93 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 525.36 | Joback Calculated Property |
| η | 0.0002111 | Pa×s | 567.80 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 610.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-chloroheptyl 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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