- 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).
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -119.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.227 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Inp | [1325.00; 1325.00] |
|
|
| Inp | 1325.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Tboil | 458.04 | K | Joback Calculated Property |
| Tc | 683.52 | K | Joback Calculated Property |
| Tfus | 277.67 | K | Joback Calculated Property |
| Vc | 0.325 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.76; 236.85] | J/mol×K | [458.04; 683.52] |
|
| Cp,gas | 176.76 | J/mol×K | 458.04 | Joback Calculated Property |
| Cp,gas | 188.07 | J/mol×K | 495.62 | Joback Calculated Property |
| Cp,gas | 198.87 | J/mol×K | 533.20 | Joback Calculated Property |
| Cp,gas | 209.14 | J/mol×K | 570.78 | Joback Calculated Property |
| Cp,gas | 218.89 | J/mol×K | 608.36 | Joback Calculated Property |
| Cp,gas | 228.13 | J/mol×K | 645.94 | Joback Calculated Property |
| Cp,gas | 236.85 | J/mol×K | 683.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-ethylidenedihydro-.
Sources
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