- InChI
- InChI=1S/C7H5Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h1,3-4H,5H2
- InChI Key
- GRCGKUPJKHXUAF-UHFFFAOYSA-N
- Formula
- C7H5Cl3O2
- SMILES
- C#CC=CCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 227.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -143.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.28 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.089 | Crippen Calculated Property | |
| McVol | 140.750 | ml/mol | McGowan Calculated Property |
| Inp | [1286.00; 1286.00] |
|
|
| Inp | 1286.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Tboil | 483.31 | 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 | [262.67; 302.55] | J/mol×K | [521.32; 748.45] |
|
| Cp,gas | 262.67 | J/mol×K | 521.32 | Joback Calculated Property |
| Cp,gas | 271.08 | J/mol×K | 559.17 | Joback Calculated Property |
| Cp,gas | 278.71 | J/mol×K | 597.03 | Joback Calculated Property |
| Cp,gas | 285.61 | J/mol×K | 634.88 | Joback Calculated Property |
| Cp,gas | 291.85 | J/mol×K | 672.74 | Joback Calculated Property |
| Cp,gas | 297.48 | J/mol×K | 710.59 | Joback Calculated Property |
| Cp,gas | 302.55 | J/mol×K | 748.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, pent-2-en-4-ynyl ester.
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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