- InChI
- InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h8H,1,5-7H2,2-4H3/b10-8+
- InChI Key
- HCJMBPAWBFFIJI-CSKARUKUSA-N
- Formula
- C11H18O
- SMILES
- C=C(C)CCCC(C)=CC(C)=O
- Molecular Weight1
- 166.26
- CAS
- 872858-42-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Inp | 1275.50 | NIST | |
| Tboil | 497.27 | K | Relay (1.0) Calculated Property |
| Tc | 686.03 | K | Relay (1.0) Calculated Property |
| Tfus | 246.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [352.30; 430.67] | J/mol×K | [505.55; 694.38] | 
|
| Cp,gas | 352.30 | J/mol×K | 505.55 | Joback Calculated Property |
| Cp,gas | 367.13 | J/mol×K | 537.02 | Joback Calculated Property |
| Cp,gas | 381.20 | J/mol×K | 568.49 | Joback Calculated Property |
| Cp,gas | 394.56 | J/mol×K | 599.96 | Joback Calculated Property |
| Cp,gas | 407.23 | J/mol×K | 631.44 | Joback Calculated Property |
| Cp,gas | 419.26 | J/mol×K | 662.91 | Joback Calculated Property |
| Cp,gas | 430.67 | J/mol×K | 694.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,8-Dimethylnona-3,8-dien-2-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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