- InChI
- InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
- InChI Key
- RQHMQURGSQBBJY-UHFFFAOYSA-N
- Formula
- C4H2Cl4O3
- SMILES
- O=C(OC(=O)C(Cl)Cl)C(Cl)Cl
- Molecular Weight1
- 239.87
- CAS
- 4124-30-5
- Other Names
-
- Dichloroacetetic anhydride
- Acetic acid, dichloro-, anhydride
- Dichloroacetic acid anhydride
- Anhydrid kyseliny dichloroctove
- 2,2'-dichloroacetic anhydride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -653.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.664 | Crippen Calculated Property | |
| McVol | 125.190 | ml/mol | McGowan Calculated Property |
| Inp | 1248.00 | NIST | |
| Tboil | 488.20 | K | NIST |
| Tfus | 330.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.45; 244.86] | J/mol×K | [552.05; 773.85] | 
|
| Cp,gas | 217.45 | J/mol×K | 552.05 | Joback Calculated Property |
| Cp,gas | 223.10 | J/mol×K | 589.02 | Joback Calculated Property |
| Cp,gas | 228.32 | J/mol×K | 625.98 | Joback Calculated Property |
| Cp,gas | 233.10 | J/mol×K | 662.95 | Joback Calculated Property |
| Cp,gas | 237.45 | J/mol×K | 699.92 | Joback Calculated Property |
| Cp,gas | 241.37 | J/mol×K | 736.88 | Joback Calculated Property |
| Cp,gas | 244.86 | J/mol×K | 773.85 | Joback Calculated Property |
| η | [0.0002902; 0.0047887] | Pa×s | [316.78; 552.05] |
|
| η | 0.0047887 | Pa×s | 316.78 | Joback Calculated Property |
| η | 0.0023202 | Pa×s | 355.99 | Joback Calculated Property |
| η | 0.0012980 | Pa×s | 395.20 | Joback Calculated Property |
| η | 0.0008065 | Pa×s | 434.41 | Joback Calculated Property |
| η | 0.0005421 | Pa×s | 473.63 | Joback Calculated Property |
| η | 0.0003873 | Pa×s | 512.84 | Joback Calculated Property |
| η | 0.0002902 | Pa×s | 552.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetic anhydride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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