- InChI
- InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
- InChI Key
- MCFZBCCYOPSZLG-UHFFFAOYSA-N
- Formula
- C5H4O2
- SMILES
- O=C1C=CC(=O)C1
- Molecular Weight1
- 96.08
- CAS
- 930-60-9
- Other Names
-
- 2-Cyclopentene-1,4-dione
- 2-Cyclopenten-1,4-dione
- 4-Cyclopenten-1,3-dione
- Cyclopent-2-en-1,4-dione
- Cyclopent-2-ene-1,4-dione
- cyclopent-4-ene-1,3-dione
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| EA | 1.14 ± 0.13 | eV | NIST |
| ΔfG° | -179.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 1.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.08 | kJ/mol | Joback Calculated Property |
| IE | [9.60; 10.25] | eV |
|
| IE | 9.60 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 10.25 | eV | NIST |
| log10WS | -0.22 | Crippen Calculated Property | |
| logPoct/wat | 0.084 | Crippen Calculated Property | |
| McVol | 69.290 | ml/mol | McGowan Calculated Property |
| Pc | 5258.62 | kPa | Joback Calculated Property |
| Inp | [846.00; 911.00] |
|
|
| Inp | 884.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 884.00 | NIST | |
| I | [1535.00; 1605.00] |
|
|
| I | 1576.00 | NIST | |
| I | 1605.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1573.00 | NIST | |
| I | 1605.00 | NIST | |
| I | 1573.00 | NIST | |
| I | 1576.00 | NIST | |
| Tboil | 468.55 | K | Joback Calculated Property |
| Tc | 712.77 | K | Joback Calculated Property |
| Tfus | 298.45 | K | Joback Calculated Property |
| Vc | 0.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.50; 183.87] | J/mol×K | [468.55; 712.77] |
|
| Cp,gas | 131.50 | J/mol×K | 468.55 | Joback Calculated Property |
| Cp,gas | 141.13 | J/mol×K | 509.25 | Joback Calculated Property |
| Cp,gas | 150.46 | J/mol×K | 549.96 | Joback Calculated Property |
| Cp,gas | 159.44 | J/mol×K | 590.66 | Joback Calculated Property |
| Cp,gas | 168.03 | J/mol×K | 631.36 | Joback Calculated Property |
| Cp,gas | 176.19 | J/mol×K | 672.07 | Joback Calculated Property |
| Cp,gas | 183.87 | J/mol×K | 712.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyclopentene-1,3-dione.
Sources
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