- InChI
- InChI=1S/C7H10Cl2O2/c1-3-4-5(2)11-7(10)6(8)9/h3,5-6H,1,4H2,2H3
- InChI Key
- USCBFFDOXIGWRO-UHFFFAOYSA-N
- Formula
- C7H10Cl2O2
- SMILES
- C=CCC(C)OC(=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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -451.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 137.110 | ml/mol | McGowan Calculated Property |
| Inp | 1077.00 | NIST | |
| I | [1548.00; 1548.00] |
|
|
| I | 1548.00 | NIST | |
| I | 1548.00 | NIST | |
| Tboil | 452.41 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.69; 377.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.13610e+01 | |||
| Coefficient B | 6.19420e-01 | |||
| Coefficient C | -3.32500e-04 | |||
| Coefficient D | 4.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 251.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 279.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 302.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 323.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 341.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 356.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 368.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 377.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093308; 0.0002556] | Pa×s | [239.06; 480.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18375e+01 | |||
| Coefficient B | 1.71240e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 239.06 | |||
| Temperature range, max. | 480.26 | |||
| η | 0.0093308 | Pa×s | 239.06 | Calculated Property |
| η | 0.0045324 | Pa×s | 265.86 | Calculated Property |
| η | 0.0025129 | Pa×s | 292.66 | Calculated Property |
| η | 0.0015382 | Pa×s | 319.46 | Calculated Property |
| η | 0.0010158 | Pa×s | 346.26 | Calculated Property |
| η | 0.0007121 | Pa×s | 373.06 | Calculated Property |
| η | 0.0005235 | Pa×s | 399.86 | Calculated Property |
| η | 0.0004000 | Pa×s | 426.66 | Calculated Property |
| η | 0.0003156 | Pa×s | 453.46 | Calculated Property |
| η | 0.0002556 | Pa×s | 480.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-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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