- InChI
- InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
- InChI Key
- SNOYUTZWILESAI-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=CC(=O)C(C)C
- Molecular Weight1
- 98.14
- CAS
- 1606-47-9
- Other Names
-
- Isopropyl vinyl ketone
- iso-C3H7COCH=CH2
- 4-Methyl-1-penten-3-one
- 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).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -177.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.09 | kJ/mol | Joback Calculated Property |
| IE | 9.39 | eV | NIST |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Inp | [830.00; 830.00] |
|
|
| Inp | 830.00 | NIST | |
| Inp | 830.00 | NIST | |
| I | [1093.00; 1093.00] |
|
|
| I | 1093.00 | NIST | |
| I | 1093.00 | NIST | |
| Tboil | 369.39 | K | Relay (1.0) Calculated Property |
| Tfus | 188.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [163.42; 215.77] | J/mol×K | [386.99; 572.76] |
|
| Cp,gas | 163.42 | J/mol×K | 386.99 | Joback Calculated Property |
| Cp,gas | 173.18 | J/mol×K | 417.95 | Joback Calculated Property |
| Cp,gas | 182.51 | J/mol×K | 448.91 | Joback Calculated Property |
| Cp,gas | 191.42 | J/mol×K | 479.88 | Joback Calculated Property |
| Cp,gas | 199.93 | J/mol×K | 510.84 | Joback Calculated Property |
| Cp,gas | 208.04 | J/mol×K | 541.80 | Joback Calculated Property |
| Cp,gas | 215.77 | J/mol×K | 572.76 | Joback Calculated Property |
| η | [0.0002830; 0.0052215] | Pa×s | [190.55; 386.99] |
|
| η | 0.0052215 | Pa×s | 190.55 | Joback Calculated Property |
| η | 0.0022497 | Pa×s | 223.29 | Joback Calculated Property |
| η | 0.0012022 | Pa×s | 256.03 | Joback Calculated Property |
| η | 0.0007405 | Pa×s | 288.77 | Joback Calculated Property |
| η | 0.0005034 | Pa×s | 321.51 | Joback Calculated Property |
| η | 0.0003676 | Pa×s | 354.25 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 386.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-one, 4-methyl-.
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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