- InChI
- InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h2H,3-4H2,1H3/b5-2+
- InChI Key
- CBRZDGMGLYOALR-GORDUTHDSA-N
- Formula
- C6H8O2
- SMILES
- CC=C1CCC(=O)O1
- Molecular Weight1
- 112.13
- CAS
- 3393-34-8
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-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 | -313.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.05 | kJ/mol | Joback Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.227 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Inp | [1325.00; 1325.00] |
|
|
| Inp | 1325.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Tboil | 485.26 | K | Relay (1.0) Calculated Property |
| Tfus | 266.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 | [165.57; 216.86] | J/mol×K | [413.15; 609.72] |
|
| Cp,gas | 165.57 | J/mol×K | 413.15 | Joback Calculated Property |
| Cp,gas | 175.51 | J/mol×K | 445.91 | Joback Calculated Property |
| Cp,gas | 184.85 | J/mol×K | 478.67 | Joback Calculated Property |
| Cp,gas | 193.64 | J/mol×K | 511.44 | Joback Calculated Property |
| Cp,gas | 201.88 | J/mol×K | 544.20 | Joback Calculated Property |
| Cp,gas | 209.61 | J/mol×K | 576.96 | Joback Calculated Property |
| Cp,gas | 216.86 | J/mol×K | 609.72 | Joback Calculated Property |
| η | [0.0003530; 0.0018758] | Pa×s | [232.25; 413.15] |
|
| η | 0.0018758 | Pa×s | 232.25 | Joback Calculated Property |
| η | 0.0012101 | Pa×s | 262.40 | Joback Calculated Property |
| η | 0.0008545 | Pa×s | 292.55 | Joback Calculated Property |
| η | 0.0006439 | Pa×s | 322.70 | Joback Calculated Property |
| η | 0.0005093 | Pa×s | 352.85 | Joback Calculated Property |
| η | 0.0004179 | Pa×s | 383.00 | Joback Calculated Property |
| η | 0.0003530 | Pa×s | 413.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-ethylidenedihydro-.
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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