- InChI
- InChI=1S/C5H4O3/c6-4-2-1-3-5(7)8-4/h1-2H,3H2
- InChI Key
- SYIUWAVTBADRJG-UHFFFAOYSA-N
- Formula
- C5H4O3
- SMILES
- O=C1C=CCC(=O)O1
- Molecular Weight1
- 112.08
- CAS
- 5926-95-4
- Other Names
-
- Glutaconic anhydride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 8.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.86 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.016 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| I | [2427.00; 2427.00] |
|
|
| I | 2427.00 | NIST | |
| I | 2427.00 | NIST | |
| Tboil | 500.27 | K | Relay (1.0) Calculated Property |
| Tfus | 319.30 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 |
|---|---|---|---|---|
| Cp,gas | [145.86; 191.33] | J/mol×K | [454.88; 676.19] |
|
| Cp,gas | 145.86 | J/mol×K | 454.88 | Joback Calculated Property |
| Cp,gas | 154.51 | J/mol×K | 491.77 | Joback Calculated Property |
| Cp,gas | 162.75 | J/mol×K | 528.65 | Joback Calculated Property |
| Cp,gas | 170.55 | J/mol×K | 565.54 | Joback Calculated Property |
| Cp,gas | 177.92 | J/mol×K | 602.42 | Joback Calculated Property |
| Cp,gas | 184.85 | J/mol×K | 639.31 | Joback Calculated Property |
| Cp,gas | 191.33 | J/mol×K | 676.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2,6(3H)-dione.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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