- InChI
- InChI=1S/C15H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-10,13H2,1H3
- InChI Key
- IKJIABATPGGYLS-UHFFFAOYSA-N
- Formula
- C15H23Cl3O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)C(Cl)(Cl)C
l - Molecular Weight1
- 341.71
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -419.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.434 | Crippen Calculated Property | |
| McVol | 257.770 | ml/mol | McGowan Calculated Property |
| Inp | 2084.00 | NIST | |
| Tboil | 568.99 | K | Relay (1.0) Calculated Property |
| Tfus | 282.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [668.25; 744.19] | J/mol×K | [719.08; 920.66] | 
|
| Cp,gas | 668.25 | J/mol×K | 719.08 | Joback Calculated Property |
| Cp,gas | 683.10 | J/mol×K | 752.68 | Joback Calculated Property |
| Cp,gas | 697.01 | J/mol×K | 786.27 | Joback Calculated Property |
| Cp,gas | 710.04 | J/mol×K | 819.87 | Joback Calculated Property |
| Cp,gas | 722.21 | J/mol×K | 853.47 | Joback Calculated Property |
| Cp,gas | 733.58 | J/mol×K | 887.06 | Joback Calculated Property |
| Cp,gas | 744.19 | J/mol×K | 920.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, tridec-2-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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