- InChI
- InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2
- InChI Key
- SIFBVNDLLGPEKT-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- C=C1CCC(=O)O1
- Molecular Weight1
- 98.10
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -271.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.837 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| I | [1533.00; 1533.00] |
|
|
| I | 1533.00 | NIST | |
| I | 1533.00 | NIST | |
| Tboil | 459.23 | K | Relay (1.0) Calculated Property |
| Tfus | 288.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 |
|---|---|---|---|---|
| Cp,gas | [139.40; 190.66] | J/mol×K | [427.68; 650.12] |
|
| Cp,gas | 139.40 | J/mol×K | 427.68 | Joback Calculated Property |
| Cp,gas | 148.86 | J/mol×K | 464.75 | Joback Calculated Property |
| Cp,gas | 157.98 | J/mol×K | 501.83 | Joback Calculated Property |
| Cp,gas | 166.72 | J/mol×K | 538.90 | Joback Calculated Property |
| Cp,gas | 175.09 | J/mol×K | 575.98 | Joback Calculated Property |
| Cp,gas | 183.08 | J/mol×K | 613.05 | Joback Calculated Property |
| Cp,gas | 190.66 | J/mol×K | 650.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-methylen-«gamma»-butyrolactone.
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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