- InChI
- InChI=1S/C5H5ClO2/c1-2-3-8-5(7)4-6/h1H,3-4H2
- InChI Key
- YVAMVRSKOCSBPY-UHFFFAOYSA-N
- Formula
- C5H5ClO2
- SMILES
- C#CCOC(=O)CCl
- Molecular Weight1
- 132.54
- 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).
- 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 | -210.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.402 | Crippen Calculated Property | |
| McVol | 92.390 | ml/mol | McGowan Calculated Property |
| Inp | [885.00; 885.00] |
|
|
| Inp | 885.00 | NIST | |
| Inp | 885.00 | NIST | |
| Tboil | 444.58 | K | Relay (1.0) Calculated Property |
| Tfus | 273.10 | 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 | [159.13; 194.71] | J/mol×K | [399.77; 595.48] |
|
| Cp,gas | 159.13 | J/mol×K | 399.77 | Joback Calculated Property |
| Cp,gas | 165.83 | J/mol×K | 432.39 | Joback Calculated Property |
| Cp,gas | 172.21 | J/mol×K | 465.01 | Joback Calculated Property |
| Cp,gas | 178.28 | J/mol×K | 497.63 | Joback Calculated Property |
| Cp,gas | 184.06 | J/mol×K | 530.24 | Joback Calculated Property |
| Cp,gas | 189.53 | J/mol×K | 562.86 | Joback Calculated Property |
| Cp,gas | 194.71 | J/mol×K | 595.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 2-propynyl ester.
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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