- InChI
- InChI=1S/C8H16O2/c1-6(2)7(10)8(3,4)5-9/h6,9H,5H2,1-4H3
- InChI Key
- PYSAJDICZJMKGG-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)C(=O)C(C)(C)CO
- Molecular Weight1
- 144.21
- 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).
- 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 | -478.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.230 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Tboil | 478.72 | K | Relay (1.0) Calculated Property |
| Tfus | 308.79 | 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 | [313.11; 375.62] | J/mol×K | [524.82; 706.52] | 
|
| Cp,gas | 313.11 | J/mol×K | 524.82 | Joback Calculated Property |
| Cp,gas | 324.99 | J/mol×K | 555.10 | Joback Calculated Property |
| Cp,gas | 336.25 | J/mol×K | 585.39 | Joback Calculated Property |
| Cp,gas | 346.92 | J/mol×K | 615.67 | Joback Calculated Property |
| Cp,gas | 357.02 | J/mol×K | 645.95 | Joback Calculated Property |
| Cp,gas | 366.58 | J/mol×K | 676.24 | Joback Calculated Property |
| Cp,gas | 375.62 | J/mol×K | 706.52 | Joback Calculated Property |
| η | [0.0001342; 0.0360166] | Pa×s | [278.09; 524.82] |
|
| η | 0.0360166 | Pa×s | 278.09 | Joback Calculated Property |
| η | 0.0077807 | Pa×s | 319.21 | Joback Calculated Property |
| η | 0.0023847 | Pa×s | 360.33 | Joback Calculated Property |
| η | 0.0009312 | Pa×s | 401.45 | Joback Calculated Property |
| η | 0.0004331 | Pa×s | 442.58 | Joback Calculated Property |
| η | 0.0002294 | Pa×s | 483.70 | Joback Calculated Property |
| η | 0.0001342 | Pa×s | 524.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,4-Trimethyl-3-keto-pentanol.
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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