- InChI
- InChI=1S/C7H10Cl4O2/c8-4-2-1-3-5-13-6(12)7(9,10)11/h1-5H2
- InChI Key
- RNDGFCISXTXPID-UHFFFAOYSA-N
- Formula
- C7H10Cl4O2
- SMILES
- O=C(OCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 267.96
- Other Names
-
- 1-Pentanol, 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 | -526.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.14 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 165.890 | ml/mol | McGowan Calculated Property |
| Inp | [1474.00; 1530.00] |
|
|
| Inp | 1474.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1530.00 | NIST | |
| I | [2155.00; 2205.00] |
|
|
| I | 2155.00 | NIST | |
| I | 2170.00 | NIST | |
| I | 2188.00 | NIST | |
| I | 2205.00 | NIST | |
| Tboil | 520.71 | 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 | [339.73; 390.12] | J/mol×K | [564.47; 771.12] |
|
| Cp,gas | 339.73 | J/mol×K | 564.47 | Joback Calculated Property |
| Cp,gas | 349.78 | J/mol×K | 598.91 | Joback Calculated Property |
| Cp,gas | 359.13 | J/mol×K | 633.35 | Joback Calculated Property |
| Cp,gas | 367.80 | J/mol×K | 667.80 | Joback Calculated Property |
| Cp,gas | 375.84 | J/mol×K | 702.24 | Joback Calculated Property |
| Cp,gas | 383.27 | J/mol×K | 736.68 | Joback Calculated Property |
| Cp,gas | 390.12 | J/mol×K | 771.12 | Joback Calculated Property |
| η | [0.0002091; 0.0034804] | Pa×s | [333.08; 564.47] |
|
| η | 0.0034804 | Pa×s | 333.08 | Joback Calculated Property |
| η | 0.0017078 | Pa×s | 371.65 | Joback Calculated Property |
| η | 0.0009581 | Pa×s | 410.21 | Joback Calculated Property |
| η | 0.0005936 | Pa×s | 448.78 | Joback Calculated Property |
| η | 0.0003967 | Pa×s | 487.34 | Joback Calculated Property |
| η | 0.0002813 | Pa×s | 525.90 | Joback Calculated Property |
| η | 0.0002091 | Pa×s | 564.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-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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