- 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).
- Ip : 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 |
| Ip | [2427.00; 2427.00] |
|
|
| Ip | 2427.00 | NIST | |
| Ip | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [97.18; 228.08] | 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 | 6.66000e+00 | |||
| Coefficient B | 3.67500e-01 | |||
| Coefficient C | -1.26080e-04 | |||
| Coefficient D | -2.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 97.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 120.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 140.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 159.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 176.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 191.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 204.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 214.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 222.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 228.08 | J/mol×K | 1000.00 | 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
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