- InChI
- InChI=1S/C7H11Cl3O2/c1-2-3-4-5(8)12-7(11)6(9)10/h5-6H,2-4H2,1H3
- InChI Key
- ORXHSSIOYWQVDE-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CCCCC(Cl)OC(=O)C(Cl)Cl
- Molecular Weight1
- 233.52
- Other Names
-
- 1-Pentanol, 1-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 | -577.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.92 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Inp | [1222.00; 1272.00] |
|
|
| Inp | 1222.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Inp | 1271.00 | NIST | |
| I | [1810.00; 1815.00] |
|
|
| I | 1815.00 | NIST | |
| I | 1810.00 | NIST | |
| I | 1813.00 | NIST | |
| I | 1815.00 | NIST | |
| Tboil | 488.73 | 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 | [312.94; 368.61] | J/mol×K | [529.39; 727.96] |
|
| Cp,gas | 312.94 | J/mol×K | 529.39 | Joback Calculated Property |
| Cp,gas | 323.62 | J/mol×K | 562.48 | Joback Calculated Property |
| Cp,gas | 333.72 | J/mol×K | 595.58 | Joback Calculated Property |
| Cp,gas | 343.27 | J/mol×K | 628.67 | Joback Calculated Property |
| Cp,gas | 352.25 | J/mol×K | 661.77 | Joback Calculated Property |
| Cp,gas | 360.70 | J/mol×K | 694.86 | Joback Calculated Property |
| Cp,gas | 368.61 | J/mol×K | 727.96 | Joback Calculated Property |
| η | [0.0002210; 0.0074438] | Pa×s | [270.74; 529.39] |
|
| η | 0.0074438 | Pa×s | 270.74 | Joback Calculated Property |
| η | 0.0027695 | Pa×s | 313.85 | Joback Calculated Property |
| η | 0.0013083 | Pa×s | 356.96 | Joback Calculated Property |
| η | 0.0007265 | Pa×s | 400.06 | Joback Calculated Property |
| η | 0.0004523 | Pa×s | 443.17 | Joback Calculated Property |
| η | 0.0003063 | Pa×s | 486.28 | Joback Calculated Property |
| η | 0.0002210 | Pa×s | 529.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloropentyl 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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