- InChI
- InChI=1S/C10H16O/c1-4-10(3)6-5-9(11)7-8(10)2/h7H,4-6H2,1-3H3
- InChI Key
- LVBPXRKIGDMCEV-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CCC1(C)CCC(=O)C=C1C
- Molecular Weight1
- 152.23
- CAS
- 17622-46-7
- Other Names
-
- 4-Ethyl-3,4-dimethyl-2-cyclohexen-1-one
- 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).
- Inp : Non-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° | -49.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | 1150.00 | NIST | |
| Tboil | 519.95 | K | Joback Calculated Property |
| Tc | 746.03 | K | Joback Calculated Property |
| Tfus | 315.24 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.97; 411.58] | J/mol×K | [519.95; 746.03] | 
|
| Cp,gas | 320.97 | J/mol×K | 519.95 | Joback Calculated Property |
| Cp,gas | 338.18 | J/mol×K | 557.63 | Joback Calculated Property |
| Cp,gas | 354.42 | J/mol×K | 595.31 | Joback Calculated Property |
| Cp,gas | 369.79 | J/mol×K | 632.99 | Joback Calculated Property |
| Cp,gas | 384.38 | J/mol×K | 670.67 | Joback Calculated Property |
| Cp,gas | 398.28 | J/mol×K | 708.35 | Joback Calculated Property |
| Cp,gas | 411.58 | J/mol×K | 746.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 4-ethyl-3,4-dimethyl-.
Sources
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