- InChI
- InChI=1S/C8H12O2/c1-5(2)6-3-4-7(9)8(6)10/h5,10H,3-4H2,1-2H3
- InChI Key
- CMDYRLLHBMXTEA-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CC(C)C1=C(O)C(=O)CC1
- Molecular Weight1
- 140.18
- CAS
- 55277-47-9
- Other Names
-
- 2-Hydroxy-3-isopropyl-2-cyclopenten-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 | 0.5259 | Relay (... Calculated Property | |
| ΔfG° | -190.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -1.74 | Relay (... Calculated Property | |
| logPoct/wat | 1.817 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Inp | [1158.00; 1158.00] |
|
|
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| I | [1835.00; 1835.00] |
|
|
| I | 1835.00 | NIST | |
| I | 1835.00 | NIST | |
| I | 1835.00 | NIST | |
| Tboil | 503.59 | K | Relay (... Calculated Property |
| Tc | 735.78 | K | Relay (... Calculated Property |
| Tfus | 347.58 | K | Relay (... Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.05; 344.45] | J/mol×K | [571.07; 777.44] |
|
| Cp,gas | 282.05 | J/mol×K | 571.07 | Joback Calculated Property |
| Cp,gas | 293.83 | J/mol×K | 605.46 | Joback Calculated Property |
| Cp,gas | 305.05 | J/mol×K | 639.86 | Joback Calculated Property |
| Cp,gas | 315.72 | J/mol×K | 674.25 | Joback Calculated Property |
| Cp,gas | 325.85 | J/mol×K | 708.65 | Joback Calculated Property |
| Cp,gas | 335.42 | J/mol×K | 743.04 | Joback Calculated Property |
| Cp,gas | 344.45 | J/mol×K | 777.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl).
Sources
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