- InChI
- InChI=1S/C9H16O/c1-8-6-4-2-3-5-7-9(8)10/h8H,2-7H2,1H3
- InChI Key
- MJFJFHJQZCMMKL-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CC1CCCCCCC1=O
- Molecular Weight1
- 140.22
- CAS
- 10363-27-6
- Other Names
-
- 2-Methylcyclooctanone
- 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).
- 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).
- 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° | -97.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 128.380 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| I | [1685.00; 1685.00] |
|
|
| I | 1685.00 | NIST | |
| I | 1685.00 | NIST | |
| Tboil | 501.23 | K | Joback Calculated Property |
| Tc | 735.45 | K | Joback Calculated Property |
| Tfus | 259.75 | K | Joback Calculated Property |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.74; 398.45] | J/mol×K | [501.23; 735.45] |
|
| Cp,gas | 291.74 | J/mol×K | 501.23 | Joback Calculated Property |
| Cp,gas | 312.04 | J/mol×K | 540.27 | Joback Calculated Property |
| Cp,gas | 331.36 | J/mol×K | 579.30 | Joback Calculated Property |
| Cp,gas | 349.69 | J/mol×K | 618.34 | Joback Calculated Property |
| Cp,gas | 367.00 | J/mol×K | 657.38 | Joback Calculated Property |
| Cp,gas | 383.26 | J/mol×K | 696.41 | Joback Calculated Property |
| Cp,gas | 398.45 | J/mol×K | 735.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclooctanone, 2-methyl-.
Sources
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