- InChI
- InChI=1S/C8H13ClO2/c1-2-3-4-5-6-11-8(10)7-9/h3-4H,2,5-7H2,1H3/b4-3+
- InChI Key
- WPCPCOLQASJMNK-ARJAWSKDSA-N
- Formula
- C8H13ClO2
- SMILES
- CC/C=C\CCOC(=O)CCl
- Molecular Weight1
- 176.64
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -464.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.80 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Inp | [1182.00; 1182.00] |
|
|
| Inp | 1182.00 | NIST | |
| Inp | 1182.00 | NIST | |
| I | 1701.00 | NIST | |
| Tboil | 479.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [286.09; 348.37] | J/mol×K | [482.45; 668.50] |
|
| Cp,gas | 286.09 | J/mol×K | 482.45 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 513.46 | Joback Calculated Property |
| Cp,gas | 309.00 | J/mol×K | 544.47 | Joback Calculated Property |
| Cp,gas | 319.63 | J/mol×K | 575.47 | Joback Calculated Property |
| Cp,gas | 329.72 | J/mol×K | 606.48 | Joback Calculated Property |
| Cp,gas | 339.30 | J/mol×K | 637.49 | Joback Calculated Property |
| Cp,gas | 348.37 | J/mol×K | 668.50 | Joback Calculated Property |
| η | [0.0002058; 0.0048564] | Pa×s | [247.09; 482.45] |
|
| η | 0.0048564 | Pa×s | 247.09 | Joback Calculated Property |
| η | 0.0019989 | Pa×s | 286.32 | Joback Calculated Property |
| η | 0.0010190 | Pa×s | 325.54 | Joback Calculated Property |
| η | 0.0006005 | Pa×s | 364.77 | Joback Calculated Property |
| η | 0.0003921 | Pa×s | 404.00 | Joback Calculated Property |
| η | 0.0002761 | Pa×s | 443.22 | Joback Calculated Property |
| η | 0.0002058 | Pa×s | 482.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-Hexen-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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