- InChI
- InChI=1S/C4H5Cl3O2/c5-1-2-9-4(8)3(6)7/h3H,1-2H2
- InChI Key
- HSIYFNKETHDXJA-UHFFFAOYSA-N
- Formula
- C4H5Cl3O2
- SMILES
- O=C(OCCCl)C(Cl)Cl
- Molecular Weight1
- 191.44
- Other Names
-
- Ethanol, 2-chloro, dichloroacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4463 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.572 | Crippen Calculated Property | |
| McVol | 111.380 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Inp | [1083.00; 1094.00] |
|
|
| Inp | 1083.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1083.00 | NIST | |
| I | [1846.00; 1876.00] |
|
|
| I | 1846.00 | NIST | |
| I | 1870.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1873.00 | NIST | |
| I | 1876.00 | NIST | |
| I | 1846.00 | NIST | |
| Tboil | 468.93 | K | Relay (1.0) Calculated Property |
| Tc | 681.26 | K | Relay (1.0) Calculated Property |
| Tfus | 263.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.28; 226.88] | J/mol×K | [479.06; 684.53] |
|
| Cp,gas | 192.28 | J/mol×K | 479.06 | Joback Calculated Property |
| Cp,gas | 198.81 | J/mol×K | 513.30 | Joback Calculated Property |
| Cp,gas | 205.04 | J/mol×K | 547.55 | Joback Calculated Property |
| Cp,gas | 210.96 | J/mol×K | 581.79 | Joback Calculated Property |
| Cp,gas | 216.57 | J/mol×K | 616.04 | Joback Calculated Property |
| Cp,gas | 221.88 | J/mol×K | 650.28 | Joback Calculated Property |
| Cp,gas | 226.88 | J/mol×K | 684.53 | Joback Calculated Property |
| η | [0.0003417; 0.0035797] | Pa×s | [281.76; 479.06] |
|
| η | 0.0035797 | Pa×s | 281.76 | Joback Calculated Property |
| η | 0.0019722 | Pa×s | 314.64 | Joback Calculated Property |
| η | 0.0012163 | Pa×s | 347.53 | Joback Calculated Property |
| η | 0.0008155 | Pa×s | 380.41 | Joback Calculated Property |
| η | 0.0005827 | Pa×s | 413.29 | Joback Calculated Property |
| η | 0.0004375 | Pa×s | 446.18 | Joback Calculated Property |
| η | 0.0003417 | Pa×s | 479.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloroethyl dichloroacetate.
Sources
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