- 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.
- I : 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° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.15 | 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 | |
| I | [1642.00; 1642.00] |
|
|
| I | 1642.00 | NIST | |
| I | 1642.00 | NIST | |
| Tboil | 444.58 | K | Relay (1.0) Calculated Property |
| Tfus | 277.00 | 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 | [160.72; 194.80] | J/mol×K | [417.64; 617.44] |
|
| Cp,gas | 160.72 | J/mol×K | 417.64 | Joback Calculated Property |
| Cp,gas | 167.05 | J/mol×K | 450.94 | Joback Calculated Property |
| Cp,gas | 173.12 | J/mol×K | 484.24 | Joback Calculated Property |
| Cp,gas | 178.92 | J/mol×K | 517.54 | Joback Calculated Property |
| Cp,gas | 184.47 | J/mol×K | 550.84 | Joback Calculated Property |
| Cp,gas | 189.76 | J/mol×K | 584.14 | Joback Calculated Property |
| Cp,gas | 194.80 | J/mol×K | 617.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyl-1-ol, chloroacetate.
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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