- InChI
- InChI=1S/C4H6Cl2O2/c5-1-2-8-4(7)3-6/h1-3H2
- InChI Key
- XPUCYTFPMSEFIN-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- O=C(CCl)OCCCl
- Molecular Weight1
- 157.00
- Other Names
-
- Ethanol, 2-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | -471.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.007 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Inp | [990.00; 1016.00] |
|
|
| Inp | 1002.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1016.00 | NIST | |
| I | [1755.00; 1803.00] |
|
|
| I | 1759.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1789.00 | NIST | |
| I | 1787.00 | NIST | |
| I | 1792.00 | NIST | |
| I | 1803.00 | NIST | |
| Tboil | 462.15 | K | Relay (1.0) Calculated Property |
| Tfus | 257.61 | 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 | [170.38; 207.59] | J/mol×K | [424.20; 615.16] |
|
| Cp,gas | 170.38 | J/mol×K | 424.20 | Joback Calculated Property |
| Cp,gas | 177.31 | J/mol×K | 456.03 | Joback Calculated Property |
| Cp,gas | 183.95 | J/mol×K | 487.85 | Joback Calculated Property |
| Cp,gas | 190.30 | J/mol×K | 519.68 | Joback Calculated Property |
| Cp,gas | 196.35 | J/mol×K | 551.51 | Joback Calculated Property |
| Cp,gas | 202.12 | J/mol×K | 583.34 | Joback Calculated Property |
| Cp,gas | 207.59 | J/mol×K | 615.16 | Joback Calculated Property |
| η | [0.0003386; 0.0047584] | Pa×s | [237.01; 424.20] |
|
| η | 0.0047584 | Pa×s | 237.01 | Joback Calculated Property |
| η | 0.0023709 | Pa×s | 268.21 | Joback Calculated Property |
| η | 0.0013659 | Pa×s | 299.41 | Joback Calculated Property |
| η | 0.0008732 | Pa×s | 330.61 | Joback Calculated Property |
| η | 0.0006030 | Pa×s | 361.80 | Joback Calculated Property |
| η | 0.0004417 | Pa×s | 393.00 | Joback Calculated Property |
| η | 0.0003386 | Pa×s | 424.20 | Joback Calculated Property |
| ΔvapH | 53.30 | kJ/mol | 398.50 | NIST |
Similar Compounds
Find more compounds similar to Ethanol, 2-chloro, 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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