- InChI
- InChI=1S/C9H15Cl3O2/c1-2-3-4-5-7(10)6-14-9(13)8(11)12/h7-8H,2-6H2,1H3
- InChI Key
- TUIURHBFCSRJCI-UHFFFAOYSA-N
- Formula
- C9H15Cl3O2
- SMILES
- CCCCCC(Cl)COC(=O)C(Cl)Cl
- Molecular Weight1
- 261.58
- Other Names
-
- 1-Heptanol, 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -594.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.01 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.521 | Crippen Calculated Property | |
| McVol | 181.830 | ml/mol | McGowan Calculated Property |
| Inp | [1505.00; 1521.00] |
|
|
| Inp | 1505.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1521.00 | NIST | |
| I | [2130.00; 2144.00] |
|
|
| I | 2130.00 | NIST | |
| I | 2139.00 | NIST | |
| I | 2144.00 | NIST | |
| I | 2130.00 | NIST | |
| Tboil | 530.19 | 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 | [403.55; 468.31] | J/mol×K | [575.15; 768.48] |
|
| Cp,gas | 403.55 | J/mol×K | 575.15 | Joback Calculated Property |
| Cp,gas | 415.97 | J/mol×K | 607.37 | Joback Calculated Property |
| Cp,gas | 427.72 | J/mol×K | 639.59 | Joback Calculated Property |
| Cp,gas | 438.81 | J/mol×K | 671.82 | Joback Calculated Property |
| Cp,gas | 449.27 | J/mol×K | 704.04 | Joback Calculated Property |
| Cp,gas | 459.10 | J/mol×K | 736.26 | Joback Calculated Property |
| Cp,gas | 468.31 | J/mol×K | 768.48 | Joback Calculated Property |
| η | [0.0001721; 0.0061209] | Pa×s | [293.28; 575.15] |
|
| η | 0.0061209 | Pa×s | 293.28 | Joback Calculated Property |
| η | 0.0022380 | Pa×s | 340.26 | Joback Calculated Property |
| η | 0.0010445 | Pa×s | 387.24 | Joback Calculated Property |
| η | 0.0005749 | Pa×s | 434.21 | Joback Calculated Property |
| η | 0.0003556 | Pa×s | 481.19 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 528.17 | Joback Calculated Property |
| η | 0.0001721 | Pa×s | 575.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloroheptyl 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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