- InChI
- InChI=1S/C9H16O2/c1-3-4-5-6-7-9(11)8(2)10/h6-8,10H,3-5H2,1-2H3
- InChI Key
- MLVAFNPNFAUPDG-VOTSOKGWSA-N
- Formula
- C9H16O2
- SMILES
- CCCC/C=C/C(=O)C(C)O
- Molecular Weight1
- 156.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfusH° | 21.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.683 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| I | [1796.00; 1796.00] |
|
|
| I | 1796.00 | NIST | |
| I | 1796.00 | NIST | |
| Tboil | 458.01 | K | Relay (1.0) Calculated Property |
| Tfus | 278.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [336.63; 397.63] | J/mol×K | [555.29; 732.95] |
|
| Cp,gas | 336.63 | J/mol×K | 555.29 | Joback Calculated Property |
| Cp,gas | 348.09 | J/mol×K | 584.90 | Joback Calculated Property |
| Cp,gas | 359.01 | J/mol×K | 614.51 | Joback Calculated Property |
| Cp,gas | 369.40 | J/mol×K | 644.12 | Joback Calculated Property |
| Cp,gas | 379.28 | J/mol×K | 673.73 | Joback Calculated Property |
| Cp,gas | 388.68 | J/mol×K | 703.34 | Joback Calculated Property |
| Cp,gas | 397.63 | J/mol×K | 732.95 | Joback Calculated Property |
| η | [0.0000972; 0.0233418] | Pa×s | [281.86; 555.29] |
|
| η | 0.0233418 | Pa×s | 281.86 | Joback Calculated Property |
| η | 0.0049574 | Pa×s | 327.43 | Joback Calculated Property |
| η | 0.0015374 | Pa×s | 373.00 | Joback Calculated Property |
| η | 0.0006152 | Pa×s | 418.57 | Joback Calculated Property |
| η | 0.0002947 | Pa×s | 464.15 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 509.72 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 555.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-hydroxy-(E)-4-nonen-3-one.
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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