- InChI
- InChI=1S/C5H8Cl2O/c1-3-4(8)5(2,6)7/h3H2,1-2H3
- InChI Key
- BMDBRMSPWDBXGN-UHFFFAOYSA-N
- Formula
- C5H8Cl2O
- SMILES
- CCC(=O)C(C)(Cl)Cl
- Molecular Weight1
- 155.02
- 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).
- 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 | -312.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.159 | Crippen Calculated Property | |
| McVol | 107.360 | ml/mol | McGowan Calculated Property |
| Inp | [834.00; 834.00] |
|
|
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Tboil | 423.93 | K | Relay (1.0) Calculated Property |
| Tfus | 251.03 | 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 | [191.93; 238.61] | J/mol×K | [439.30; 645.91] |
|
| Cp,gas | 191.93 | J/mol×K | 439.30 | Joback Calculated Property |
| Cp,gas | 201.14 | J/mol×K | 473.73 | Joback Calculated Property |
| Cp,gas | 209.74 | J/mol×K | 508.17 | Joback Calculated Property |
| Cp,gas | 217.75 | J/mol×K | 542.60 | Joback Calculated Property |
| Cp,gas | 225.21 | J/mol×K | 577.04 | Joback Calculated Property |
| Cp,gas | 232.16 | J/mol×K | 611.47 | Joback Calculated Property |
| Cp,gas | 238.61 | J/mol×K | 645.91 | Joback Calculated Property |
| η | [0.0004097; 0.0053482] | Pa×s | [258.30; 439.30] |
|
| η | 0.0053482 | Pa×s | 258.30 | Joback Calculated Property |
| η | 0.0027862 | Pa×s | 288.47 | Joback Calculated Property |
| η | 0.0016423 | Pa×s | 318.63 | Joback Calculated Property |
| η | 0.0010607 | Pa×s | 348.80 | Joback Calculated Property |
| η | 0.0007344 | Pa×s | 378.97 | Joback Calculated Property |
| η | 0.0005369 | Pa×s | 409.13 | Joback Calculated Property |
| η | 0.0004097 | Pa×s | 439.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2,2-dichloro.
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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