- InChI
- InChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3
- InChI Key
- JWCFJPLIRVYENQ-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CCOC1=CC(=O)CCC1
- Molecular Weight1
- 140.18
- CAS
- 5323-87-5
- Other Names
-
- 3-Ethoxy-2-cyclohexene-1-one
- 3-Ethoxy-2-cyclohexenone
- 2-Cyclohexen-1-one, 3-ethoxy-
- 3-ethoxycyclohex-2-ene-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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -158.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.75 | kJ/mol | Joback Calculated Property |
| IE | 8.69 ± 0.05 | eV | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.660 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Tboil | 501.04 | K | Joback Calculated Property |
| Tc | 722.96 | K | Joback Calculated Property |
| Tfus | 295.27 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.61; 332.57] | J/mol×K | [501.04; 722.96] | 
|
| Cp,gas | 254.61 | J/mol×K | 501.04 | Joback Calculated Property |
| Cp,gas | 269.18 | J/mol×K | 538.03 | Joback Calculated Property |
| Cp,gas | 283.15 | J/mol×K | 575.01 | Joback Calculated Property |
| Cp,gas | 296.49 | J/mol×K | 612.00 | Joback Calculated Property |
| Cp,gas | 309.19 | J/mol×K | 648.98 | Joback Calculated Property |
| Cp,gas | 321.22 | J/mol×K | 685.97 | Joback Calculated Property |
| Cp,gas | 332.57 | J/mol×K | 722.96 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 3-Ethoxy-2-cyclohexen-1-one.
Sources
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