- InChI
- InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
- InChI Key
- FWFSEYBSWVRWGL-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- O=C1C=CCCC1
- Molecular Weight1
- 96.13
- CAS
- 930-68-7
- Other Names
-
- 1-Cyclohexen-3-one
- 2-Cyclohexene-1-one
- 2-Cyclohexenone-1
- 2-cyclohexenone
- Cyclohex-2-en-1-one
- Cyclohexen-2-one
- Cyclohexen-3-one
- cyclohex-2-enone
- cyclohexenone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -60.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.50 ± 0.40 | kJ/mol | NIST |
| IE | [9.20; 9.37] | eV |
|
| IE | 9.23 ± 0.05 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.37 | eV | NIST |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.296 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Pc | 4530.00 ± 250.00 | kPa | NIST |
| ρc | 315.30 ± 20.19 | kg/m3 | NIST |
| Inp | [136.20; 939.00] |
|
|
| Inp | 920.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | Outlier 136.20 | NIST | |
| I | [1410.00; 1468.00] |
|
|
| I | 1413.00 | NIST | |
| I | 1437.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1437.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1437.00 | NIST | |
| I | 1424.00 | NIST | |
| I | 1413.00 | NIST | |
| I | Outlier 1462.00 | NIST | |
| I | 1433.00 | NIST | |
| I | Outlier 1468.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1421.00 | NIST | |
| I | 1421.00 | NIST | |
| I | 1422.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1425.00 | NIST | |
| Tboil | [440.50; 443.20] | K |
|
| Tboil | 441.20 | K | NIST |
| Tboil | 443.20 | K | NIST |
| Tboil | 440.50 ± 0.50 | K | NIST |
| Tc | 685.00 ± 6.00 | K | NIST |
| Tfus | 237.98 | K | Joback Calculated Property |
| Vc | 0.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.01; 215.77] | J/mol×K | [427.88; 657.68] |
|
| Cp,gas | 149.01 | J/mol×K | 427.88 | Joback Calculated Property |
| Cp,gas | 161.60 | J/mol×K | 466.18 | Joback Calculated Property |
| Cp,gas | 173.60 | J/mol×K | 504.48 | Joback Calculated Property |
| Cp,gas | 185.03 | J/mol×K | 542.78 | Joback Calculated Property |
| Cp,gas | 195.87 | J/mol×K | 581.08 | Joback Calculated Property |
| Cp,gas | 206.12 | J/mol×K | 619.38 | Joback Calculated Property |
| Cp,gas | 215.77 | J/mol×K | 657.68 | Joback Calculated Property |
| ΔvapH | 45.00 | kJ/mol | 398.00 | NIST |
| Pvap | [4.15; 100.40] | kPa | [350.40; 445.00] |
|
| Pvap | 4.15 | kPa | 350.40 | Vapor P... |
| Pvap | 4.79 | kPa | 353.66 | Vapor P... |
| Pvap | 5.66 | kPa | 357.56 | Vapor P... |
| Pvap | 6.71 | kPa | 361.48 | Vapor P... |
| Pvap | 8.10 | kPa | 366.16 | Vapor P... |
| Pvap | 9.58 | kPa | 370.32 | Vapor P... |
| Pvap | 11.46 | kPa | 374.97 | Vapor P... |
| Pvap | 13.31 | kPa | 379.00 | Vapor P... |
| Pvap | 14.06 | kPa | 380.50 | Vapor P... |
| Pvap | 17.53 | kPa | 386.63 | Vapor P... |
| Pvap | 18.68 | kPa | 388.40 | Vapor P... |
| Pvap | 20.95 | kPa | 391.77 | Vapor P... |
| Pvap | 25.20 | kPa | 397.16 | Vapor P... |
| Pvap | 32.03 | kPa | 404.53 | Vapor P... |
| Pvap | 35.56 | kPa | 407.95 | Vapor P... |
| Pvap | 39.01 | kPa | 410.86 | Vapor P... |
| Pvap | 57.64 | kPa | 424.23 | Vapor P... |
| Pvap | 99.00 | kPa | 444.48 | Vapor-L... |
| Pvap | 99.00 | kPa | 444.51 | Vapor-L... |
| Pvap | 100.40 | kPa | 445.00 | Vapor P... |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Vapor Pressures of Hexanal, 2-Methylcyclohexanone, and 2-Cyclohexen-1-one
- Vapor-Liquid Equilibria of Cyclohexanone + 2-Cyclohexen-1-one and Cyclohexanol + 2-Cyclohexen-1-one, Validated in a Packed Column Distillation.
- Joback Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.