- InChI
- InChI=1S/C7H10O/c1-5-3-4-6(2)7(5)8/h3,6H,4H2,1-2H3
- InChI Key
- GBTHLOLSKPVPOD-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- CC1=CCC(C)C1=O
- Molecular Weight1
- 110.15
- 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).
- 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° | -57.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| I | [1351.00; 1351.00] |
|
|
| I | 1351.00 | NIST | |
| I | 1351.00 | NIST | |
| Tboil | 446.80 | K | Joback Calculated Property |
| Tc | 665.38 | K | Joback Calculated Property |
| Tfus | 261.05 | K | Joback Calculated Property |
| Vc | 0.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.39; 260.75] | J/mol×K | [446.80; 665.38] |
|
| Cp,gas | 191.39 | J/mol×K | 446.80 | Joback Calculated Property |
| Cp,gas | 204.25 | J/mol×K | 483.23 | Joback Calculated Property |
| Cp,gas | 216.60 | J/mol×K | 519.66 | Joback Calculated Property |
| Cp,gas | 228.43 | J/mol×K | 556.09 | Joback Calculated Property |
| Cp,gas | 239.73 | J/mol×K | 592.52 | Joback Calculated Property |
| Cp,gas | 250.51 | J/mol×K | 628.95 | Joback Calculated Property |
| Cp,gas | 260.75 | J/mol×K | 665.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethyl-2-cyclopentenone.
Sources
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