- InChI
- InChI=1S/C10H16O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5H,4,6-7H2,1-3H3
- InChI Key
- HALCXXAVLJHSTJ-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- CCOC1=CC(=O)CC(C)(C)C1
- Molecular Weight1
- 168.23
- CAS
- 6267-39-6
- Other Names
-
- 3-Ethoxy-5,5-dimethyl-cyclohex-2-enone
- 3-Ethoxy-5,5-dimethyl-2-cyclohexen-1-one
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4248 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | NIST |
| log10WS | -1.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 507.92 | K | Relay (1.0) Calculated Property |
| Tc | 695.70 | K | Relay (1.0) Calculated Property |
| Tfus | 284.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.46; 435.91] | J/mol×K | [542.37; 765.73] | 
|
| Cp,gas | 346.46 | J/mol×K | 542.37 | Joback Calculated Property |
| Cp,gas | 363.25 | J/mol×K | 579.60 | Joback Calculated Property |
| Cp,gas | 379.19 | J/mol×K | 616.82 | Joback Calculated Property |
| Cp,gas | 394.35 | J/mol×K | 654.05 | Joback Calculated Property |
| Cp,gas | 408.82 | J/mol×K | 691.28 | Joback Calculated Property |
| Cp,gas | 422.65 | J/mol×K | 728.51 | Joback Calculated Property |
| Cp,gas | 435.91 | J/mol×K | 765.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-.
Sources
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