- InChI
- InChI=1S/C5H6Cl4O2/c1-2-3(6)11-4(10)5(7,8)9/h3H,2H2,1H3
- InChI Key
- IABUENOUASULAK-UHFFFAOYSA-N
- Formula
- C5H6Cl4O2
- SMILES
- CCC(Cl)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 239.91
- Other Names
-
- 1-Propanol, 1-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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -528.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.03 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.875 | Crippen Calculated Property | |
| McVol | 137.710 | ml/mol | McGowan Calculated Property |
| Inp | [1117.00; 1163.00] |
|
|
| Inp | 1123.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | 1123.00 | NIST | |
| I | [1590.00; 1628.00] |
|
|
| I | 1590.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1598.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1628.00 | NIST | |
| I | 1590.00 | NIST | |
| Tboil | 475.71 | K | Relay (1.0) Calculated Property |
| Tfus | 250.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [254.82; 295.36] | J/mol×K | [518.27; 736.48] |
|
| Cp,gas | 254.82 | J/mol×K | 518.27 | Joback Calculated Property |
| Cp,gas | 263.11 | J/mol×K | 554.64 | Joback Calculated Property |
| Cp,gas | 270.75 | J/mol×K | 591.01 | Joback Calculated Property |
| Cp,gas | 277.76 | J/mol×K | 627.38 | Joback Calculated Property |
| Cp,gas | 284.19 | J/mol×K | 663.75 | Joback Calculated Property |
| Cp,gas | 290.04 | J/mol×K | 700.11 | Joback Calculated Property |
| Cp,gas | 295.36 | J/mol×K | 736.48 | Joback Calculated Property |
| η | [0.0002615; 0.0058284] | Pa×s | [295.54; 518.27] |
|
| η | 0.0058284 | Pa×s | 295.54 | Joback Calculated Property |
| η | 0.0026033 | Pa×s | 332.66 | Joback Calculated Property |
| η | 0.0013670 | Pa×s | 369.78 | Joback Calculated Property |
| η | 0.0008073 | Pa×s | 406.90 | Joback Calculated Property |
| η | 0.0005207 | Pa×s | 444.03 | Joback Calculated Property |
| η | 0.0003593 | Pa×s | 481.15 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 518.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloropropyl 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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