- InChI
- InChI=1S/C4H5Cl3O2/c1-2(5)9-4(8)3(6)7/h2-3H,1H3
- InChI Key
- XALCRQMVXZOFGU-UHFFFAOYSA-N
- Formula
- C4H5Cl3O2
- SMILES
- CC(Cl)OC(=O)C(Cl)Cl
- Molecular Weight1
- 191.44
- Other Names
-
- Ethanol, 1-chloro, dichloroacetate
- 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° | -291.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 1.918 | Crippen Calculated Property | |
| McVol | 111.380 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Inp | [979.00; 994.00] |
|
|
| Inp | 980.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 980.00 | NIST | |
| I | [1594.00; 1614.00] |
|
|
| I | 1594.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1602.00 | NIST | |
| I | 1601.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1594.00 | NIST | |
| Tboil | 478.62 | K | Joback Calculated Property |
| Tc | 688.86 | K | Joback Calculated Property |
| Tfus | 266.76 | K | Joback Calculated Property |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.56; 228.21] | J/mol×K | [478.62; 688.86] |
|
| Cp,gas | 192.56 | J/mol×K | 478.62 | Joback Calculated Property |
| Cp,gas | 199.32 | J/mol×K | 513.66 | Joback Calculated Property |
| Cp,gas | 205.76 | J/mol×K | 548.70 | Joback Calculated Property |
| Cp,gas | 211.87 | J/mol×K | 583.74 | Joback Calculated Property |
| Cp,gas | 217.64 | J/mol×K | 618.78 | Joback Calculated Property |
| Cp,gas | 223.09 | J/mol×K | 653.82 | Joback Calculated Property |
| Cp,gas | 228.21 | J/mol×K | 688.86 | Joback Calculated Property |
| η | [0.0003244; 0.0049718] | Pa×s | [266.76; 478.62] |
|
| η | 0.0049718 | Pa×s | 266.76 | Joback Calculated Property |
| η | 0.0024180 | Pa×s | 302.07 | Joback Calculated Property |
| η | 0.0013676 | Pa×s | 337.38 | Joback Calculated Property |
| η | 0.0008616 | Pa×s | 372.69 | Joback Calculated Property |
| η | 0.0005881 | Pa×s | 408.00 | Joback Calculated Property |
| η | 0.0004265 | Pa×s | 443.31 | Joback Calculated Property |
| η | 0.0003244 | Pa×s | 478.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chloroethyl dichloroacetate.
Sources
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