- InChI
- InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h6H,2-5,7H2,1H3
- InChI Key
- LQANWSYLRLMKDX-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CCCCC1=CCCC1=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).
- 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° | -33.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 2.466 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3042.32 | kPa | Joback Calculated Property |
| I | [1637.00; 1637.00] |
|
|
| I | 1637.00 | NIST | |
| I | 1637.00 | NIST | |
| Tboil | 497.23 | K | Joback Calculated Property |
| Tc | 709.66 | K | Joback Calculated Property |
| Tfus | 287.83 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.74; 354.22] | J/mol×K | [497.23; 709.66] |
|
| Cp,gas | 274.74 | J/mol×K | 497.23 | Joback Calculated Property |
| Cp,gas | 289.69 | J/mol×K | 532.63 | Joback Calculated Property |
| Cp,gas | 303.96 | J/mol×K | 568.04 | Joback Calculated Property |
| Cp,gas | 317.53 | J/mol×K | 603.44 | Joback Calculated Property |
| Cp,gas | 330.43 | J/mol×K | 638.85 | Joback Calculated Property |
| Cp,gas | 342.66 | J/mol×K | 674.25 | Joback Calculated Property |
| Cp,gas | 354.22 | J/mol×K | 709.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-butyl cyclopent-2-en-1 -one.
Sources
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