- InChI
- InChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h10H,2-5H2,1H3
- InChI Key
- XAXYCXCTGDUBNW-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- CCCC1=C(O)C(=O)CC1
- Molecular Weight1
- 140.18
- CAS
- 25684-04-2
- Other Names
-
- 2-Cyclopenten-1-one, 2-hydroxy-3-propyl
- 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 | 0.5647 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.962 | Crippen Calculated Property | |
| McVol | 115.860 | ml/mol | McGowan Calculated Property |
| Pc | 3718.02 | kPa | Joback Calculated Property |
| Inp | [1188.00; 1188.00] |
|
|
| Inp | 1188.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1188.00 | NIST | |
| I | [1891.00; 1891.00] |
|
|
| I | 1891.00 | NIST | |
| I | 1891.00 | NIST | |
| I | 1891.00 | NIST | |
| Tboil | 512.54 | K | Relay (1.0) Calculated Property |
| Tc | 740.44 | K | Relay (1.0) Calculated Property |
| Tfus | 323.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.64; 342.74] | J/mol×K | [571.51; 773.68] |
|
| Cp,gas | 281.64 | J/mol×K | 571.51 | Joback Calculated Property |
| Cp,gas | 293.12 | J/mol×K | 605.21 | Joback Calculated Property |
| Cp,gas | 304.08 | J/mol×K | 638.90 | Joback Calculated Property |
| Cp,gas | 314.52 | J/mol×K | 672.60 | Joback Calculated Property |
| Cp,gas | 324.44 | J/mol×K | 706.29 | Joback Calculated Property |
| Cp,gas | 333.85 | J/mol×K | 739.99 | Joback Calculated Property |
| Cp,gas | 342.74 | J/mol×K | 773.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3-propyl-2-cyclopenten-1-one.
Sources
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