- InChI
- InChI=1S/C6H8Cl4O2/c1-2-4(7)3-12-5(11)6(8,9)10/h4H,2-3H2,1H3
- InChI Key
- DUUQIODKAXWGHX-UHFFFAOYSA-N
- Formula
- C6H8Cl4O2
- SMILES
- CCC(Cl)COC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 253.94
- Other Names
-
- 1-Butanol, 2-chloro, trichloroacetate
- 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 | -523.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.05 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.917 | Crippen Calculated Property | |
| McVol | 151.800 | ml/mol | McGowan Calculated Property |
| Inp | [1264.00; 1311.00] |
|
|
| Inp | 1268.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1311.00 | NIST | |
| I | [1828.00; 1873.00] |
|
|
| I | 1828.00 | NIST | |
| I | 1846.00 | NIST | |
| I | 1851.00 | NIST | |
| I | 1859.00 | NIST | |
| I | 1873.00 | NIST | |
| I | 1828.00 | NIST | |
| Tboil | 500.35 | 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 | [296.56; 342.92] | J/mol×K | [541.15; 755.73] |
|
| Cp,gas | 296.56 | J/mol×K | 541.15 | Joback Calculated Property |
| Cp,gas | 305.94 | J/mol×K | 576.91 | Joback Calculated Property |
| Cp,gas | 314.61 | J/mol×K | 612.68 | Joback Calculated Property |
| Cp,gas | 322.62 | J/mol×K | 648.44 | Joback Calculated Property |
| Cp,gas | 329.98 | J/mol×K | 684.20 | Joback Calculated Property |
| Cp,gas | 336.74 | J/mol×K | 719.97 | Joback Calculated Property |
| Cp,gas | 342.92 | J/mol×K | 755.73 | Joback Calculated Property |
| η | [0.0002268; 0.0052706] | Pa×s | [306.81; 541.15] |
|
| η | 0.0052706 | Pa×s | 306.81 | Joback Calculated Property |
| η | 0.0023206 | Pa×s | 345.87 | Joback Calculated Property |
| η | 0.0012068 | Pa×s | 384.92 | Joback Calculated Property |
| η | 0.0007079 | Pa×s | 423.98 | Joback Calculated Property |
| η | 0.0004544 | Pa×s | 463.04 | Joback Calculated Property |
| η | 0.0003125 | Pa×s | 502.09 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 541.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chlorobutyl trichloroacetate.
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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