- InChI
- InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
- InChI Key
- AWUPLMYXZJKHEG-UHFFFAOYSA-N
- Formula
- C3H3ClF2O2
- SMILES
- COC(=O)C(F)(F)Cl
- Molecular Weight1
- 144.50
- Other Names
-
- Methyl chlorodifluoroacetate
- Acetic acid, chlorodifluoro-, methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | -789.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 76.350 | ml/mol | McGowan Calculated Property |
| Tboil | 353.00 | K | NIST |
| Tfus | 196.68 | 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 | [134.28; 166.79] | J/mol×K | [359.20; 534.75] | 
|
| Cp,gas | 134.28 | J/mol×K | 359.20 | Joback Calculated Property |
| Cp,gas | 140.53 | J/mol×K | 388.46 | Joback Calculated Property |
| Cp,gas | 146.43 | J/mol×K | 417.72 | Joback Calculated Property |
| Cp,gas | 152.00 | J/mol×K | 446.97 | Joback Calculated Property |
| Cp,gas | 157.24 | J/mol×K | 476.23 | Joback Calculated Property |
| Cp,gas | 162.17 | J/mol×K | 505.49 | Joback Calculated Property |
| Cp,gas | 166.79 | J/mol×K | 534.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl chlorodifluoroacetate.
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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