- InChI
- InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3
- InChI Key
- JHWFWLUAUPZUCP-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- CCC1=C(O)C(=O)CC1
- Molecular Weight1
- 126.15
- CAS
- 21835-01-8
- Other Names
-
- 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
- 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl
- 2-Hydroxy-3-ethyl-2-cyclopenten-1-one
- 3-Ethyl-2-hydroxy-2-cyclopentenone
- 3-ethyl-2-hydroxycyclopent-2-en-1-one
- 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° | -196.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.28 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.571 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Inp | [1082.00; 1140.00] |
|
|
| Inp | 1100.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1091.00 | NIST | |
| I | [1845.00; 1926.00] |
|
|
| I | 1891.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1924.00 | NIST | |
| I | Outlier 1845.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1892.00 | NIST | |
| I | 1893.00 | NIST | |
| I | 1893.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1926.00 | NIST | |
| Tboil | 548.63 | K | Joback Calculated Property |
| Tc | 753.86 | K | Joback Calculated Property |
| Tfus | 338.63 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.75; 292.68] | J/mol×K | [548.63; 753.86] |
|
| Cp,gas | 236.75 | J/mol×K | 548.63 | Joback Calculated Property |
| Cp,gas | 247.22 | J/mol×K | 582.83 | Joback Calculated Property |
| Cp,gas | 257.24 | J/mol×K | 617.04 | Joback Calculated Property |
| Cp,gas | 266.79 | J/mol×K | 651.24 | Joback Calculated Property |
| Cp,gas | 275.88 | J/mol×K | 685.45 | Joback Calculated Property |
| Cp,gas | 284.51 | J/mol×K | 719.65 | Joback Calculated Property |
| Cp,gas | 292.68 | J/mol×K | 753.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.