- InChI
- InChI=1S/C15H24Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15(18)14(16)17/h14H,2-10,13H2,1H3
- InChI Key
- DVLQUHLPIXUEAP-UHFFFAOYSA-N
- Formula
- C15H24Cl2O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 307.26
- 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 | -432.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.868 | Crippen Calculated Property | |
| McVol | 245.530 | ml/mol | McGowan Calculated Property |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 562.40 | K | Relay (1.0) Calculated Property |
| Tfus | 283.55 | 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 | [637.53; 719.38] | J/mol×K | [684.44; 876.65] |
|
| Cp,gas | 637.53 | J/mol×K | 684.44 | Joback Calculated Property |
| Cp,gas | 653.26 | J/mol×K | 716.48 | Joback Calculated Property |
| Cp,gas | 668.12 | J/mol×K | 748.51 | Joback Calculated Property |
| Cp,gas | 682.15 | J/mol×K | 780.55 | Joback Calculated Property |
| Cp,gas | 695.35 | J/mol×K | 812.58 | Joback Calculated Property |
| Cp,gas | 707.75 | J/mol×K | 844.62 | Joback Calculated Property |
| Cp,gas | 719.38 | J/mol×K | 876.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic 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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