- InChI
- InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h8H,1,3-6H2,2H3
- InChI Key
- YQMUZRNPCVSBEH-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- C=C(C)C1CCC(=O)CC1
- Molecular Weight1
- 138.21
- CAS
- 22460-53-3
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3399 | Relay (... Calculated Property | |
| ΔfG° | 6.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.99 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -1.76 | Relay (... Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [1133.00; 1161.00] |
|
|
| Inp | 1161.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Tboil | 488.85 | K | Relay (... Calculated Property |
| Tc | 683.59 | K | Relay (... Calculated Property |
| Tfus | 259.11 | K | Relay (... Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.45; 366.29] | J/mol×K | [489.25; 715.56] |
|
| Cp,gas | 273.45 | J/mol×K | 489.25 | Joback Calculated Property |
| Cp,gas | 291.11 | J/mol×K | 526.97 | Joback Calculated Property |
| Cp,gas | 307.89 | J/mol×K | 564.69 | Joback Calculated Property |
| Cp,gas | 323.80 | J/mol×K | 602.41 | Joback Calculated Property |
| Cp,gas | 338.83 | J/mol×K | 640.13 | Joback Calculated Property |
| Cp,gas | 352.99 | J/mol×K | 677.84 | Joback Calculated Property |
| Cp,gas | 366.29 | J/mol×K | 715.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropenylcyclohexanone.
Sources
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