- InChI
- InChI=1S/C4H4Cl4O2/c5-1-2-10-3(9)4(6,7)8/h1-2H2
- InChI Key
- LZAFIYKPGDSKLN-UHFFFAOYSA-N
- Formula
- C4H4Cl4O2
- SMILES
- O=C(OCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 225.88
- CAS
- 4974-21-4
- Other Names
-
- Ethanol, 2-chloro, trichloroacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -296.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.90 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 123.620 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Inp | [1139.00; 1172.00] |
|
|
| Inp | 1148.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1148.00 | NIST | |
| I | [1836.00; 1873.00] |
|
|
| I | 1836.00 | NIST | |
| I | 1849.00 | NIST | |
| I | 1852.00 | NIST | |
| I | 1859.00 | NIST | |
| I | 1873.00 | NIST | |
| Tboil | 513.70 | K | Joback Calculated Property |
| Tc | 733.45 | K | Joback Calculated Property |
| Tfus | 329.10 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.23; 246.97] | J/mol×K | [513.70; 733.45] |
|
| Cp,gas | 215.23 | J/mol×K | 513.70 | Joback Calculated Property |
| Cp,gas | 221.68 | J/mol×K | 550.32 | Joback Calculated Property |
| Cp,gas | 227.63 | J/mol×K | 586.95 | Joback Calculated Property |
| Cp,gas | 233.12 | J/mol×K | 623.57 | Joback Calculated Property |
| Cp,gas | 238.15 | J/mol×K | 660.20 | Joback Calculated Property |
| Cp,gas | 242.76 | J/mol×K | 696.82 | Joback Calculated Property |
| Cp,gas | 246.97 | J/mol×K | 733.45 | Joback Calculated Property |
| η | [0.0003327; 0.0028944] | Pa×s | [329.10; 513.70] |
|
| η | 0.0028944 | Pa×s | 329.10 | Joback Calculated Property |
| η | 0.0017300 | Pa×s | 359.87 | Joback Calculated Property |
| η | 0.0011213 | Pa×s | 390.63 | Joback Calculated Property |
| η | 0.0007743 | Pa×s | 421.40 | Joback Calculated Property |
| η | 0.0005623 | Pa×s | 452.17 | Joback Calculated Property |
| η | 0.0004254 | Pa×s | 482.93 | Joback Calculated Property |
| η | 0.0003327 | Pa×s | 513.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloroethyl trichloroacetate.
Sources
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