- InChI
- InChI=1S/C9H14O/c1-6-4-5-7(2)9(10)8(6)3/h5-6,8H,4H2,1-3H3
- InChI Key
- QAQCUBLNHBKTRM-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CC1=CCC(C)C(C)C1=O
- Molecular Weight1
- 138.21
- CAS
- 20030-30-2
- Other Names
-
- 2,5,6-Trimethyl-2-cyclohexen-1-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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° | -60.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Tboil | 492.16 | K | Joback Calculated Property |
| Tc | 712.40 | K | Joback Calculated Property |
| Tfus | 275.83 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.29; 365.86] | J/mol×K | [492.16; 712.40] | 
|
| Cp,gas | 276.29 | J/mol×K | 492.16 | Joback Calculated Property |
| Cp,gas | 293.01 | J/mol×K | 528.87 | Joback Calculated Property |
| Cp,gas | 309.03 | J/mol×K | 565.57 | Joback Calculated Property |
| Cp,gas | 324.34 | J/mol×K | 602.28 | Joback Calculated Property |
| Cp,gas | 338.93 | J/mol×K | 638.98 | Joback Calculated Property |
| Cp,gas | 352.77 | J/mol×K | 675.69 | Joback Calculated Property |
| Cp,gas | 365.86 | J/mol×K | 712.40 | Joback Calculated Property |
| Cp,liquid | [258.10; 258.40] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 258.40 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 258.10 | J/mol×K | 298.15 | NIST |
| ΔvapH | 45.50 ± 0.30 | kJ/mol | 424.50 | NIST |
Similar Compounds
Find more compounds similar to 2,5,6-trimethylcyclohex-2-en-1-one.
Sources
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