- InChI
- InChI=1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2
- InChI Key
- GTZXSBQCNBNWPK-UHFFFAOYSA-N
- Formula
- C4H4Cl2O3
- SMILES
- O=C(Cl)COCC(=O)Cl
- Molecular Weight1
- 170.98
- CAS
- 21062-20-4
- Other Names
-
- Diglycolyl chloride
- Oxydiacetyl dichloride
- Diglycolic dichloride
- 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).
- 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 | -537.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.90 | kJ/mol | Joback Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.534 | Crippen Calculated Property | |
| McVol | 100.710 | ml/mol | McGowan Calculated Property |
| Inp | 1053.40 | NIST | |
| Tboil | 459.17 | K | Relay (1.0) Calculated Property |
| Tfus | 350.13 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [179.77; 211.57] | J/mol×K | [495.94; 701.16] | 
|
| Cp,gas | 179.77 | J/mol×K | 495.94 | Joback Calculated Property |
| Cp,gas | 185.76 | J/mol×K | 530.14 | Joback Calculated Property |
| Cp,gas | 191.48 | J/mol×K | 564.35 | Joback Calculated Property |
| Cp,gas | 196.92 | J/mol×K | 598.55 | Joback Calculated Property |
| Cp,gas | 202.09 | J/mol×K | 632.75 | Joback Calculated Property |
| Cp,gas | 206.97 | J/mol×K | 666.96 | Joback Calculated Property |
| Cp,gas | 211.57 | J/mol×K | 701.16 | Joback Calculated Property |
| η | [0.0003870; 0.0025238] | Pa×s | [316.77; 495.94] |
|
| η | 0.0025238 | Pa×s | 316.77 | Joback Calculated Property |
| η | 0.0016139 | Pa×s | 346.63 | Joback Calculated Property |
| η | 0.0011078 | Pa×s | 376.49 | Joback Calculated Property |
| η | 0.0008037 | Pa×s | 406.36 | Joback Calculated Property |
| η | 0.0006093 | Pa×s | 436.22 | Joback Calculated Property |
| η | 0.0004786 | Pa×s | 466.08 | Joback Calculated Property |
| η | 0.0003870 | Pa×s | 495.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl chloride, 2,2'-oxybis-.
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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