- InChI
- InChI=1S/C9H14Cl4O2/c1-2-7(10)5-3-4-6-15-8(14)9(11,12)13/h7H,2-6H2,1H3
- InChI Key
- RFRUECNAHPHZCQ-UHFFFAOYSA-N
- Formula
- C9H14Cl4O2
- SMILES
- CCC(Cl)CCCCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 296.02
- Other Names
-
- 1-Heptanol, 5-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 | -593.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.088 | Crippen Calculated Property | |
| McVol | 194.070 | ml/mol | McGowan Calculated Property |
| Inp | [1652.00; 1681.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1652.00 | NIST | |
| I | [2249.00; 2284.00] |
|
|
| I | 2249.00 | NIST | |
| I | 2267.00 | NIST | |
| I | 2284.00 | NIST | |
| Tboil | 542.81 | 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 | [432.41; 492.29] | J/mol×K | [609.79; 814.31] |
|
| Cp,gas | 432.41 | J/mol×K | 609.79 | Joback Calculated Property |
| Cp,gas | 444.28 | J/mol×K | 643.88 | Joback Calculated Property |
| Cp,gas | 455.35 | J/mol×K | 677.96 | Joback Calculated Property |
| Cp,gas | 465.65 | J/mol×K | 712.05 | Joback Calculated Property |
| Cp,gas | 475.22 | J/mol×K | 746.14 | Joback Calculated Property |
| Cp,gas | 484.08 | J/mol×K | 780.22 | Joback Calculated Property |
| Cp,gas | 492.29 | J/mol×K | 814.31 | Joback Calculated Property |
| η | [0.0001455; 0.0037687] | Pa×s | [340.62; 609.79] |
|
| η | 0.0037687 | Pa×s | 340.62 | Joback Calculated Property |
| η | 0.0015980 | Pa×s | 385.48 | Joback Calculated Property |
| η | 0.0008103 | Pa×s | 430.34 | Joback Calculated Property |
| η | 0.0004671 | Pa×s | 475.20 | Joback Calculated Property |
| η | 0.0002961 | Pa×s | 520.07 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 564.93 | Joback Calculated Property |
| η | 0.0001455 | Pa×s | 609.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-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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