- InChI
- InChI=1S/C10H17Cl3O2/c1-2-3-4-5-6-8(11)7-15-10(14)9(12)13/h8-9H,2-7H2,1H3
- InChI Key
- NCYACGZYPCCPHS-UHFFFAOYSA-N
- Formula
- C10H17Cl3O2
- SMILES
- CCCCCCC(Cl)COC(=O)C(Cl)Cl
- Molecular Weight1
- 275.60
- Other Names
-
- 1-Octanol, 2-chloro, dichloroacetate
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -615.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.911 | Crippen Calculated Property | |
| McVol | 195.920 | ml/mol | McGowan Calculated Property |
| Inp | [1602.00; 1621.00] |
|
|
| Inp | 1602.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Inp | 1602.00 | NIST | |
| I | [2224.00; 2239.00] |
|
|
| I | 2224.00 | NIST | |
| I | 2235.00 | NIST | |
| I | 2239.00 | NIST | |
| I | 2224.00 | NIST | |
| Tboil | 542.74 | K | Relay (1.0) Calculated Property |
| Tfus | 270.97 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [451.43; 519.90] | J/mol×K | [598.03; 789.01] |
|
| Cp,gas | 451.43 | J/mol×K | 598.03 | Joback Calculated Property |
| Cp,gas | 464.56 | J/mol×K | 629.86 | Joback Calculated Property |
| Cp,gas | 476.98 | J/mol×K | 661.69 | Joback Calculated Property |
| Cp,gas | 488.71 | J/mol×K | 693.52 | Joback Calculated Property |
| Cp,gas | 499.76 | J/mol×K | 725.35 | Joback Calculated Property |
| Cp,gas | 510.15 | J/mol×K | 757.18 | Joback Calculated Property |
| Cp,gas | 519.90 | J/mol×K | 789.01 | Joback Calculated Property |
| η | [0.0001509; 0.0054984] | Pa×s | [304.55; 598.03] |
|
| η | 0.0054984 | Pa×s | 304.55 | Joback Calculated Property |
| η | 0.0019948 | Pa×s | 353.46 | Joback Calculated Property |
| η | 0.0009260 | Pa×s | 402.38 | Joback Calculated Property |
| η | 0.0005077 | Pa×s | 451.29 | Joback Calculated Property |
| η | 0.0003131 | Pa×s | 500.20 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 549.12 | Joback Calculated Property |
| η | 0.0001509 | Pa×s | 598.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chlorooctyl dichloroacetate.
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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