- InChI
- InChI=1S/C5H9ClO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3
- InChI Key
- GGTWUPLPAPTFAR-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CC(C)C(=O)CCl
- Molecular Weight1
- 120.58
- 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 | -310.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.450 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Inp | [872.00; 872.00] |
|
|
| Inp | 872.00 | NIST | |
| Inp | 872.00 | NIST | |
| Tboil | 422.54 | K | Relay (1.0) Calculated Property |
| Tfus | 249.32 | 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 | [166.26; 213.34] | J/mol×K | [404.86; 595.79] |
|
| Cp,gas | 166.26 | J/mol×K | 404.86 | Joback Calculated Property |
| Cp,gas | 175.04 | J/mol×K | 436.68 | Joback Calculated Property |
| Cp,gas | 183.44 | J/mol×K | 468.50 | Joback Calculated Property |
| Cp,gas | 191.46 | J/mol×K | 500.32 | Joback Calculated Property |
| Cp,gas | 199.11 | J/mol×K | 532.15 | Joback Calculated Property |
| Cp,gas | 206.40 | J/mol×K | 563.97 | Joback Calculated Property |
| Cp,gas | 213.34 | J/mol×K | 595.79 | Joback Calculated Property |
| η | [0.0003459; 0.0057299] | Pa×s | [210.96; 404.86] |
|
| η | 0.0057299 | Pa×s | 210.96 | Joback Calculated Property |
| η | 0.0026301 | Pa×s | 243.28 | Joback Calculated Property |
| η | 0.0014492 | Pa×s | 275.59 | Joback Calculated Property |
| η | 0.0009049 | Pa×s | 307.91 | Joback Calculated Property |
| η | 0.0006179 | Pa×s | 340.23 | Joback Calculated Property |
| η | 0.0004508 | Pa×s | 372.54 | Joback Calculated Property |
| η | 0.0003459 | Pa×s | 404.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-methyl-1-chloro.
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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