- InChI
- InChI=1S/C8H12O/c1-6(2)7-3-4-8(9)5-7/h5-6H,3-4H2,1-2H3
- InChI Key
- OGHGFNURIXNXEM-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CC(C)C1=CC(=O)CC1
- Molecular Weight1
- 124.18
- CAS
- 1619-28-9
- 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° | -43.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.78 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Inp | 1070.00 | NIST | |
| Tboil | 473.91 | K | Joback Calculated Property |
| Tc | 694.76 | K | Joback Calculated Property |
| Tfus | 261.56 | K | Joback Calculated Property |
| Vc | 0.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.69; 307.33] | J/mol×K | [473.91; 694.76] | 
|
| Cp,gas | 231.69 | J/mol×K | 473.91 | Joback Calculated Property |
| Cp,gas | 245.95 | J/mol×K | 510.72 | Joback Calculated Property |
| Cp,gas | 259.54 | J/mol×K | 547.53 | Joback Calculated Property |
| Cp,gas | 272.47 | J/mol×K | 584.34 | Joback Calculated Property |
| Cp,gas | 284.74 | J/mol×K | 621.15 | Joback Calculated Property |
| Cp,gas | 296.36 | J/mol×K | 657.95 | Joback Calculated Property |
| Cp,gas | 307.33 | J/mol×K | 694.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 3-(1-methylethyl)-.
Sources
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