- InChI
- InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
- InChI Key
- BZKFMUIJRXWWQK-UHFFFAOYSA-N
- Formula
- C5H6O
- SMILES
- O=C1C=CCC1
- Molecular Weight1
- 82.10
- CAS
- 930-30-3
- Other Names
-
- 1-cyclopenten-3-one
- 2-Cyclopentenone
- 2-Cyclopentenone-1
- 3-Cyclopenten-2-one
- Cyclopenten-3-one
- Cyclopentenone
- cyclopenten-2-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -82.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.47; 9.35] | eV |
|
| IE | 8.47 ± 0.05 | eV | NIST |
| IE | 9.30 | eV | NIST |
| IE | 9.35 | eV | NIST |
| IE | 9.34 ± 0.02 | eV | NIST |
| logPoct/wat | 0.905 | Crippen Calculated Property | |
| McVol | 67.720 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Inp | [781.00; 834.90] |
|
|
| Inp | 799.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 834.90 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 834.90 | NIST | |
| Inp | 802.00 | NIST | |
| Ip | [1309.00; 1385.00] |
|
|
| Ip | 1344.00 | NIST | |
| Ip | 1344.00 | NIST | |
| Ip | 1341.00 | NIST | |
| Ip | 1309.00 | NIST | |
| Ip | 1313.00 | NIST | |
| Ip | 1335.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1313.00 | NIST | |
| Ip | 1316.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1349.00 | NIST | |
| Ip | 1345.00 | NIST | |
| Ip | 1347.00 | NIST | |
| Ip | 1342.00 | NIST | |
| Ip | 1343.00 | NIST | |
| Ip | 1344.00 | NIST | |
| Tboil | 409.20 | K | NIST |
| Tc | 657.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 52.40 | kJ/mol | 298.15 | Energetic vs structural study of two biomass degradation derivatives: 2-Cyclopentenone and 3-methyl-2-cyclopentenone |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [313.20; 337.70] | K | [1.60; 2.50] |
|
| Tboilr | 313.20 | K | 1.60 | NIST |
| Tboilr | 337.70 | K | 2.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [75.95; 221.75] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.38700e+01 | |||
| Coefficient B | 4.12700e-01 | |||
| Coefficient C | -1.74280e-04 | |||
| Coefficient D | 7.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 75.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 100.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 123.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 143.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 161.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 177.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 191.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 203.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 213.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 221.75 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cyclopenten-1-one.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Energetic vs structural study of two biomass degradation derivatives: 2-Cyclopentenone and 3-methyl-2-cyclopentenone
- Joback Method
- McGowan Method
- NIST Webbook
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