- InChI
- InChI=1S/C6H8O2/c1-4-2-5(7)6(8)3-4/h2,4,7H,3H2,1H3
- InChI Key
- SFSXQNIOJABGSJ-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1C=C(O)C(=O)C1
- Molecular Weight1
- 112.13
- CAS
- 15899-72-6
- Other Names
-
- 2-Cyclopenten-1-one, 2-hydroxy-4-methyl
- 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 | 0.5007 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Inp | [948.00; 948.00] |
|
|
| Inp | 948.00 | NIST | |
| Inp | 948.00 | NIST | |
| I | [1688.00; 1688.00] |
|
|
| I | 1688.00 | NIST | |
| I | 1688.00 | NIST | |
| Tboil | 468.42 | K | Relay (1.0) Calculated Property |
| Tc | 715.33 | K | Relay (1.0) Calculated Property |
| Tfus | 332.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.305 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.23; 249.71] | J/mol×K | [516.10; 723.20] |
|
| Cp,gas | 196.23 | J/mol×K | 516.10 | Joback Calculated Property |
| Cp,gas | 206.21 | J/mol×K | 550.62 | Joback Calculated Property |
| Cp,gas | 215.78 | J/mol×K | 585.13 | Joback Calculated Property |
| Cp,gas | 224.91 | J/mol×K | 619.65 | Joback Calculated Property |
| Cp,gas | 233.62 | J/mol×K | 654.16 | Joback Calculated Property |
| Cp,gas | 241.89 | J/mol×K | 688.68 | Joback Calculated Property |
| Cp,gas | 249.71 | J/mol×K | 723.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-4-methyl-2-cyclopenten-1-one.
Sources
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