- InChI
- InChI=1S/C10H16O/c1-3-4-5-6-7-8-9-10(2)11/h6-9H,3-5H2,1-2H3/b7-6+,9-8+
- InChI Key
- KGVVLDOJDFWSCL-BLHCBFLLSA-N
- Formula
- C10H16O
- SMILES
- CCCCC=CC=CC(C)=O
- Molecular Weight1
- 152.23
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -217.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.878 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Inp | 1148.00 | NIST | |
| Tboil | 480.94 | K | Relay (1.0) Calculated Property |
| Tc | 667.73 | K | Relay (1.0) Calculated Property |
| Tfus | 289.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.54; 463.09] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.72070e+01 | |||
| Coefficient B | 9.65840e-01 | |||
| Coefficient C | -6.69100e-04 | |||
| Coefficient D | 1.93560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 239.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 282.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 319.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 351.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 404.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 445.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 463.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039242; 0.0002076] | Pa×s | [242.23; 475.68] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15296e+01 | |||
| Coefficient B | 1.45071e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 242.23 | |||
| Temperature range, max. | 475.68 | |||
| η | 0.0039242 | Pa×s | 242.23 | Calculated Property |
| η | 0.0021987 | Pa×s | 268.17 | Calculated Property |
| η | 0.0013645 | Pa×s | 294.11 | Calculated Property |
| η | 0.0009148 | Pa×s | 320.05 | Calculated Property |
| η | 0.0006513 | Pa×s | 345.99 | Calculated Property |
| η | 0.0004861 | Pa×s | 371.92 | Calculated Property |
| η | 0.0003770 | Pa×s | 397.86 | Calculated Property |
| η | 0.0003016 | Pa×s | 423.80 | Calculated Property |
| η | 0.0002475 | Pa×s | 449.74 | Calculated Property |
| η | 0.0002076 | Pa×s | 475.68 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-nonadien-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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