- InChI
- InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
- InChI Key
- LOGSONSNCYTHPS-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- O=C1CCC(=O)C1
- Molecular Weight1
- 98.10
- CAS
- 3859-41-4
- Other Names
-
- 1,3-Cyclopentadione
- cyclopentane-1,3-dione
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -209.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 0.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.78 | kJ/mol | Joback Calculated Property |
| IE | [9.46; 9.53] | eV |
|
| IE | 9.46 ± 0.05 | eV | NIST |
| IE | 9.53 | eV | NIST |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | 0.308 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Pc | 4994.44 | kPa | Joback Calculated Property |
| Tboil | 469.39 | K | Joback Calculated Property |
| Tc | 710.95 | K | Joback Calculated Property |
| Tfus | 423.00 ± 3.00 | K | NIST |
| Vc | 0.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.97; 207.63] | J/mol×K | [469.39; 710.95] |
|
| Cp,gas | 146.97 | J/mol×K | 469.39 | Joback Calculated Property |
| Cp,gas | 158.12 | J/mol×K | 509.65 | Joback Calculated Property |
| Cp,gas | 168.92 | J/mol×K | 549.91 | Joback Calculated Property |
| Cp,gas | 179.31 | J/mol×K | 590.17 | Joback Calculated Property |
| Cp,gas | 189.25 | J/mol×K | 630.43 | Joback Calculated Property |
| Cp,gas | 198.71 | J/mol×K | 670.69 | Joback Calculated Property |
| Cp,gas | 207.63 | J/mol×K | 710.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclopentanedione.
Sources
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