- InChI
- InChI=1S/C9H14O/c1-4-8-6(2)5-7(3)9(8)10/h7H,4-5H2,1-3H3
- InChI Key
- LQDRSCFEBFOVPB-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CCC1=C(C)CC(C)C1=O
- Molecular Weight1
- 138.21
- 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.
- I : 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° | -50.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | 1120.00 | NIST | |
| I | 1506.00 | NIST | |
| Tboil | 497.54 | K | Joback Calculated Property |
| Tc | 711.00 | K | Joback Calculated Property |
| Tfus | 296.11 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.11; 356.58] | J/mol×K | [497.54; 711.00] | 
|
| Cp,gas | 276.11 | J/mol×K | 497.54 | Joback Calculated Property |
| Cp,gas | 291.06 | J/mol×K | 533.12 | Joback Calculated Property |
| Cp,gas | 305.40 | J/mol×K | 568.69 | Joback Calculated Property |
| Cp,gas | 319.13 | J/mol×K | 604.27 | Joback Calculated Property |
| Cp,gas | 332.24 | J/mol×K | 639.85 | Joback Calculated Property |
| Cp,gas | 344.72 | J/mol×K | 675.42 | Joback Calculated Property |
| Cp,gas | 356.58 | J/mol×K | 711.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-3,5-dimethyl-2-cyclopenten-1-one.
Sources
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