- InChI
- InChI=1S/C8H12O2/c1-3-6-5(2)4-7(9)8(6)10/h5,10H,3-4H2,1-2H3
- InChI Key
- RSVAFMGHIDKYKB-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CCC1=C(O)C(=O)CC1C
- Molecular Weight1
- 140.18
- CAS
- 42348-12-9
- Other Names
-
- 3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one
- 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
- 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5159 | Relay (... Calculated Property | |
| ΔfG° | -195.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -1.85 | Relay (... Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Inp | [1143.00; 1143.00] |
|
|
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| I | [1812.00; 1812.00] |
|
|
| I | 1812.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1812.00 | NIST | |
| Tboil | 494.27 | K | Relay (... Calculated Property |
| Tc | 726.87 | K | Relay (... Calculated Property |
| Tfus | 340.03 | K | Relay (... Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.61; 347.01] | J/mol×K | [566.84; 768.88] |
|
| Cp,gas | 283.61 | J/mol×K | 566.84 | Joback Calculated Property |
| Cp,gas | 295.46 | J/mol×K | 600.51 | Joback Calculated Property |
| Cp,gas | 306.81 | J/mol×K | 634.19 | Joback Calculated Property |
| Cp,gas | 317.65 | J/mol×K | 667.86 | Joback Calculated Property |
| Cp,gas | 327.96 | J/mol×K | 701.53 | Joback Calculated Property |
| Cp,gas | 337.75 | J/mol×K | 735.21 | Joback Calculated Property |
| Cp,gas | 347.01 | J/mol×K | 768.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl-4-methyl.
Sources
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