- InChI
- InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h7H,2-6H2,1H3
- InChI Key
- IEVRHAUJJJBXFH-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- CCC1CCCC(=O)C1
- Molecular Weight1
- 126.20
- CAS
- 22461-89-8
- Other Names
-
- 3-Ethylcyclohexanone
- 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).
- 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° | -81.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.10 | Crippen Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 114.290 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Tboil | 467.08 ± 0.50 | K | NIST |
| Tc | 690.17 | K | Joback Calculated Property |
| Tfus | 210.88 ± 0.20 | K | NIST |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.75; 337.02] | J/mol×K | [469.81; 690.17] | 
|
| Cp,gas | 246.75 | J/mol×K | 469.81 | Joback Calculated Property |
| Cp,gas | 263.69 | J/mol×K | 506.54 | Joback Calculated Property |
| Cp,gas | 279.88 | J/mol×K | 543.26 | Joback Calculated Property |
| Cp,gas | 295.31 | J/mol×K | 579.99 | Joback Calculated Property |
| Cp,gas | 309.98 | J/mol×K | 616.71 | Joback Calculated Property |
| Cp,gas | 323.89 | J/mol×K | 653.44 | Joback Calculated Property |
| Cp,gas | 337.02 | J/mol×K | 690.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 3-ethyl-.
Sources
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