- InChI
- InChI=1S/C13H21Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12(17)13(14,15)16/h9-10H,2-8,11H2,1H3/b10-9+
- InChI Key
- HPCFGWRDJUTDBB-MDZDMXLPSA-N
- Formula
- C13H21Cl3O2
- SMILES
- CCCCCCCCC=CCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 315.66
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -570.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.207 | Crippen Calculated Property | |
| McVol | 233.890 | ml/mol | McGowan Calculated Property |
| Inp | 1859.00 | NIST | |
| Tboil | 557.69 | K | Relay (1.0) Calculated Property |
| Tc | 759.13 | K | Relay (1.0) Calculated Property |
| Tfus | 253.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [583.92; 656.79] | J/mol×K | [668.48; 862.84] | 
|
| Cp,gas | 583.92 | J/mol×K | 668.48 | Joback Calculated Property |
| Cp,gas | 598.09 | J/mol×K | 700.87 | Joback Calculated Property |
| Cp,gas | 611.39 | J/mol×K | 733.27 | Joback Calculated Property |
| Cp,gas | 623.86 | J/mol×K | 765.66 | Joback Calculated Property |
| Cp,gas | 635.55 | J/mol×K | 798.06 | Joback Calculated Property |
| Cp,gas | 646.52 | J/mol×K | 830.45 | Joback Calculated Property |
| Cp,gas | 656.79 | J/mol×K | 862.84 | Joback Calculated Property |
| η | [0.0000851; 0.0022806] | Pa×s | [365.70; 668.48] |
|
| η | 0.0022806 | Pa×s | 365.70 | Joback Calculated Property |
| η | 0.0009456 | Pa×s | 416.16 | Joback Calculated Property |
| η | 0.0004743 | Pa×s | 466.63 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 517.09 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 567.55 | Joback Calculated Property |
| η | 0.0001177 | Pa×s | 618.02 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 668.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, undec-2-enyl 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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