- InChI
- InChI=1S/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
- InChI Key
- UZKJRXTYIKFJQV-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CCC(=O)C1=CCCCC1
- Molecular Weight1
- 138.21
- Other Names
-
- 1-(1-cyclohexen-1-yl)-1-propanone
- 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).
- 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 | -188.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.466 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| I | 1620.00 | NIST | |
| Tboil | 470.92 | K | Relay (1.0) Calculated Property |
| Tfus | 281.11 | 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 | [266.11; 346.64] | J/mol×K | [487.55; 701.51] | 
|
| Cp,gas | 266.11 | J/mol×K | 487.55 | Joback Calculated Property |
| Cp,gas | 281.60 | J/mol×K | 523.21 | Joback Calculated Property |
| Cp,gas | 296.23 | J/mol×K | 558.87 | Joback Calculated Property |
| Cp,gas | 310.02 | J/mol×K | 594.53 | Joback Calculated Property |
| Cp,gas | 323.00 | J/mol×K | 630.19 | Joback Calculated Property |
| Cp,gas | 335.19 | J/mol×K | 665.85 | Joback Calculated Property |
| Cp,gas | 346.64 | J/mol×K | 701.51 | Joback Calculated Property |
| η | [0.0002796; 0.0045184] | Pa×s | [266.02; 487.55] |
|
| η | 0.0045184 | Pa×s | 266.02 | Joback Calculated Property |
| η | 0.0021422 | Pa×s | 302.94 | Joback Calculated Property |
| η | 0.0011944 | Pa×s | 339.86 | Joback Calculated Property |
| η | 0.0007468 | Pa×s | 376.78 | Joback Calculated Property |
| η | 0.0005077 | Pa×s | 413.71 | Joback Calculated Property |
| η | 0.0003677 | Pa×s | 450.63 | Joback Calculated Property |
| η | 0.0002796 | Pa×s | 487.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 1-(1-cyclohexen-1-yl)-.
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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