- InChI
- InChI=1S/C4H4Cl4O2/c1-2(5)10-3(9)4(6,7)8/h2H,1H3
- InChI Key
- VYQBFWLIQIAUBR-UHFFFAOYSA-N
- Formula
- C4H4Cl4O2
- SMILES
- CC(Cl)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 225.88
- Other Names
-
- Ethanol, 1-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° | -298.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.51 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.485 | Crippen Calculated Property | |
| McVol | 123.620 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | [1023.00; 1050.00] |
|
|
| Inp | 1036.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1036.00 | NIST | |
| I | [1545.00; 1587.00] |
|
|
| I | 1547.00 | NIST | |
| I | 1545.00 | NIST | |
| I | 1550.00 | NIST | |
| I | 1554.00 | NIST | |
| I | Outlier 1587.00 | NIST | |
| I | 1547.00 | NIST | |
| Tboil | 513.26 | K | Joback Calculated Property |
| Tc | 738.13 | K | Joback Calculated Property |
| Tfus | 314.10 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.59; 248.23] | J/mol×K | [513.26; 738.13] |
|
| Cp,gas | 215.59 | J/mol×K | 513.26 | Joback Calculated Property |
| Cp,gas | 222.27 | J/mol×K | 550.74 | Joback Calculated Property |
| Cp,gas | 228.42 | J/mol×K | 588.22 | Joback Calculated Property |
| Cp,gas | 234.07 | J/mol×K | 625.69 | Joback Calculated Property |
| Cp,gas | 239.23 | J/mol×K | 663.17 | Joback Calculated Property |
| Cp,gas | 243.95 | J/mol×K | 700.65 | Joback Calculated Property |
| Cp,gas | 248.23 | J/mol×K | 738.13 | Joback Calculated Property |
| η | [0.0003143; 0.0038064] | Pa×s | [314.10; 513.26] |
|
| η | 0.0038064 | Pa×s | 314.10 | Joback Calculated Property |
| η | 0.0020592 | Pa×s | 347.29 | Joback Calculated Property |
| η | 0.0012400 | Pa×s | 380.49 | Joback Calculated Property |
| η | 0.0008101 | Pa×s | 413.68 | Joback Calculated Property |
| η | 0.0005637 | Pa×s | 446.87 | Joback Calculated Property |
| η | 0.0004125 | Pa×s | 480.07 | Joback Calculated Property |
| η | 0.0003143 | Pa×s | 513.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloroethyl trichloroacetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.