- InChI
- InChI=1S/C7H10Cl2O2/c1-2-3-4-5-11-7(10)6(8)9/h2,6H,1,3-5H2
- InChI Key
- KWMRRMPMLGGEDX-UHFFFAOYSA-N
- Formula
- C7H10Cl2O2
- SMILES
- C=CCCCOC(=O)C(Cl)Cl
- Molecular Weight1
- 197.06
- 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 | -431.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.299 | Crippen Calculated Property | |
| McVol | 137.110 | ml/mol | McGowan Calculated Property |
| Inp | 1147.00 | NIST | |
| I | [1672.00; 1672.00] |
|
|
| I | 1672.00 | NIST | |
| I | 1672.00 | NIST | |
| Tboil | 476.17 | 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 | [270.16; 324.17] | J/mol×K | [489.08; 682.23] |
|
| Cp,gas | 270.16 | J/mol×K | 489.08 | Joback Calculated Property |
| Cp,gas | 280.43 | J/mol×K | 521.27 | Joback Calculated Property |
| Cp,gas | 290.18 | J/mol×K | 553.46 | Joback Calculated Property |
| Cp,gas | 299.42 | J/mol×K | 585.65 | Joback Calculated Property |
| Cp,gas | 308.16 | J/mol×K | 617.84 | Joback Calculated Property |
| Cp,gas | 316.40 | J/mol×K | 650.04 | Joback Calculated Property |
| Cp,gas | 324.17 | J/mol×K | 682.23 | Joback Calculated Property |
| η | [0.0002537; 0.0060228] | Pa×s | [254.06; 489.08] |
|
| η | 0.0060228 | Pa×s | 254.06 | Joback Calculated Property |
| η | 0.0024970 | Pa×s | 293.23 | Joback Calculated Property |
| η | 0.0012739 | Pa×s | 332.40 | Joback Calculated Property |
| η | 0.0007490 | Pa×s | 371.57 | Joback Calculated Property |
| η | 0.0004874 | Pa×s | 410.74 | Joback Calculated Property |
| η | 0.0003417 | Pa×s | 449.91 | Joback Calculated Property |
| η | 0.0002537 | Pa×s | 489.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-1-ol, dichloroacetate.
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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