- InChI
- InChI=1S/C5H6Cl4O2/c6-2-1-3-11-4(10)5(7,8)9/h1-3H2
- InChI Key
- SUOYAKIYUAIFGY-UHFFFAOYSA-N
- Formula
- C5H6Cl4O2
- SMILES
- O=C(OCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 239.91
- Other Names
-
- 1-Propanol, 3-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 | -478.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.18 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 137.710 | ml/mol | McGowan Calculated Property |
| Inp | [1249.00; 1294.00] |
|
|
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1294.00 | NIST | |
| Inp | 1252.00 | NIST | |
| I | [1895.00; 1961.00] |
|
|
| I | 1895.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1921.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1944.00 | NIST | |
| I | 1961.00 | NIST | |
| Tboil | 493.12 | 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 | [254.46; 294.00] | J/mol×K | [518.71; 732.06] |
|
| Cp,gas | 254.46 | J/mol×K | 518.71 | Joback Calculated Property |
| Cp,gas | 262.49 | J/mol×K | 554.27 | Joback Calculated Property |
| Cp,gas | 269.91 | J/mol×K | 589.83 | Joback Calculated Property |
| Cp,gas | 276.75 | J/mol×K | 625.38 | Joback Calculated Property |
| Cp,gas | 283.02 | J/mol×K | 660.94 | Joback Calculated Property |
| Cp,gas | 288.77 | J/mol×K | 696.50 | Joback Calculated Property |
| Cp,gas | 294.00 | J/mol×K | 732.06 | Joback Calculated Property |
| η | [0.0002770; 0.0041623] | Pa×s | [310.54; 518.71] |
|
| η | 0.0041623 | Pa×s | 310.54 | Joback Calculated Property |
| η | 0.0021118 | Pa×s | 345.24 | Joback Calculated Property |
| η | 0.0012127 | Pa×s | 379.93 | Joback Calculated Property |
| η | 0.0007642 | Pa×s | 414.62 | Joback Calculated Property |
| η | 0.0005172 | Pa×s | 449.32 | Joback Calculated Property |
| η | 0.0003701 | Pa×s | 484.01 | Joback Calculated Property |
| η | 0.0002770 | Pa×s | 518.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-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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