- InChI
- InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
- InChI Key
- NOQKKFBBAODEHN-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CC1=CC(=O)CC(C)C1
- Molecular Weight1
- 124.18
- CAS
- 1123-09-7
- Other Names
-
- 3,5-Dimethyl-2-cyclohexen-1-one
- 3,5-Dimethyl-2-cyclohexene-1-one
- 3,5-dimethylcyclohex-2-en-1-one
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4648.80 | kJ/mol | NIST |
| ΔfG° | -61.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| I | [1597.00; 1624.00] |
|
|
| I | 1624.00 | NIST | |
| I | 1597.00 | NIST | |
| Tboil | 484.70 | K | NIST |
| Tc | 697.99 | K | Joback Calculated Property |
| Tfus | 268.80 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.75; 313.01] | J/mol×K | [473.95; 697.99] |
|
| Cp,gas | 231.75 | J/mol×K | 473.95 | Joback Calculated Property |
| Cp,gas | 246.94 | J/mol×K | 511.29 | Joback Calculated Property |
| Cp,gas | 261.49 | J/mol×K | 548.63 | Joback Calculated Property |
| Cp,gas | 275.38 | J/mol×K | 585.97 | Joback Calculated Property |
| Cp,gas | 288.61 | J/mol×K | 623.31 | Joback Calculated Property |
| Cp,gas | 301.16 | J/mol×K | 660.65 | Joback Calculated Property |
| Cp,gas | 313.01 | J/mol×K | 697.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 3,5-dimethyl-.
Sources
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