- InChI
- InChI=1S/C4H6Cl2O2/c1-3(6)8-4(7)2-5/h3H,2H2,1H3
- InChI Key
- MSULIXYJBOXXDR-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- CC(Cl)OC(=O)CCl
- Molecular Weight1
- 157.00
- Other Names
-
- Ethanol, 1-chloro, chloroacetate
- 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).
- IE : Ionization energy (eV).
- 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 | -521.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Inp | [895.00; 926.00] |
|
|
| Inp | 911.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 911.00 | NIST | |
| I | [1539.00; 1600.00] |
|
|
| I | 1548.00 | NIST | |
| I | 1539.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 434.06 | K | Relay (1.0) Calculated Property |
| Tfus | 245.71 | 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 | [170.49; 208.91] | J/mol×K | [423.76; 619.25] |
|
| Cp,gas | 170.49 | J/mol×K | 423.76 | Joback Calculated Property |
| Cp,gas | 177.68 | J/mol×K | 456.34 | Joback Calculated Property |
| Cp,gas | 184.56 | J/mol×K | 488.92 | Joback Calculated Property |
| Cp,gas | 191.12 | J/mol×K | 521.51 | Joback Calculated Property |
| Cp,gas | 197.36 | J/mol×K | 554.09 | Joback Calculated Property |
| Cp,gas | 203.29 | J/mol×K | 586.67 | Joback Calculated Property |
| Cp,gas | 208.91 | J/mol×K | 619.25 | Joback Calculated Property |
| η | [0.0003249; 0.0073958] | Pa×s | [222.01; 423.76] |
|
| η | 0.0073958 | Pa×s | 222.01 | Joback Calculated Property |
| η | 0.0031190 | Pa×s | 255.63 | Joback Calculated Property |
| η | 0.0016078 | Pa×s | 289.26 | Joback Calculated Property |
| η | 0.0009514 | Pa×s | 322.88 | Joback Calculated Property |
| η | 0.0006216 | Pa×s | 356.51 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 390.13 | Joback Calculated Property |
| η | 0.0003249 | Pa×s | 423.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloroethyl chloroacetate.
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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