- InChI
- InChI=1S/C4H6Cl2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
- InChI Key
- DBEYJHSHTGBZIM-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- CC(=O)OCC(Cl)Cl
- Molecular Weight1
- 157.00
- CAS
- 53942-53-3
- Other Names
-
- Ethanol, 2,2-dichloro-, 1-acetate
- Acetic acid 2,2-dichloroethyl ester
- Ethanol, 2,2-dichloro-, acetate
- 2,2-Dichloroethyl acetate
- 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° | -277.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.27 | Crippen Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Inp | [892.00; 924.80] |
|
|
| Inp | 892.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 924.80 | NIST | |
| I | [1426.00; 1480.00] |
|
|
| I | 1426.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1451.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1447.00 | NIST | |
| I | 1447.00 | NIST | |
| Tboil | 441.63 | K | Joback Calculated Property |
| Tc | 640.84 | K | Joback Calculated Property |
| Tfus | 251.84 | K | Joback Calculated Property |
| Vc | 0.376 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.11; 209.22] | J/mol×K | [441.63; 640.84] |
|
| Cp,gas | 172.11 | J/mol×K | 441.63 | Joback Calculated Property |
| Cp,gas | 178.98 | J/mol×K | 474.83 | Joback Calculated Property |
| Cp,gas | 185.57 | J/mol×K | 508.03 | Joback Calculated Property |
| Cp,gas | 191.90 | J/mol×K | 541.23 | Joback Calculated Property |
| Cp,gas | 197.95 | J/mol×K | 574.44 | Joback Calculated Property |
| Cp,gas | 203.72 | J/mol×K | 607.64 | Joback Calculated Property |
| Cp,gas | 209.22 | J/mol×K | 640.84 | Joback Calculated Property |
| η | [0.0003390; 0.0039286] | Pa×s | [251.84; 441.63] |
|
| η | 0.0039286 | Pa×s | 251.84 | Joback Calculated Property |
| η | 0.0020794 | Pa×s | 283.47 | Joback Calculated Property |
| η | 0.0012506 | Pa×s | 315.10 | Joback Calculated Property |
| η | 0.0008253 | Pa×s | 346.74 | Joback Calculated Property |
| η | 0.0005838 | Pa×s | 378.37 | Joback Calculated Property |
| η | 0.0004356 | Pa×s | 410.00 | Joback Calculated Property |
| η | 0.0003390 | Pa×s | 441.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloroethanol, acetate.
Sources
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