- InChI
- InChI=1S/C9H12O/c1-3-8-6-9(10)5-4-7(8)2/h3H,1,4-6H2,2H3
- InChI Key
- IHAUJYOJZSPIFG-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- C=CC1=C(C)CCC(=O)C1
- Molecular Weight1
- 136.19
- 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° | 33.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.47 | Crippen Calculated Property | |
| logPoct/wat | 2.242 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Inp | [1146.00; 1146.00] |
|
|
| Inp | 1146.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Tboil | 503.16 | K | Joback Calculated Property |
| Tc | 730.05 | K | Joback Calculated Property |
| Tfus | 295.07 | K | Joback Calculated Property |
| Vc | 0.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.80; 335.43] | J/mol×K | [503.16; 730.05] |
|
| Cp,gas | 256.80 | J/mol×K | 503.16 | Joback Calculated Property |
| Cp,gas | 271.68 | J/mol×K | 540.97 | Joback Calculated Property |
| Cp,gas | 285.85 | J/mol×K | 578.79 | Joback Calculated Property |
| Cp,gas | 299.31 | J/mol×K | 616.60 | Joback Calculated Property |
| Cp,gas | 312.06 | J/mol×K | 654.42 | Joback Calculated Property |
| Cp,gas | 324.10 | J/mol×K | 692.23 | Joback Calculated Property |
| Cp,gas | 335.43 | J/mol×K | 730.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3-vinyl-3-cyclohexen-1-one.
Sources
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