- InChI
- InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3H,2,4H2,1H3
- InChI Key
- WWAGWEFPCZVKGN-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CCC1=CCC(=O)O1
- Molecular Weight1
- 112.13
- CAS
- 2313-01-1
- Other Names
-
- 2(3H)-Furanone, 5-ethyl-
- 5-Ethyldihydro-(3H)-furan-2-one
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.3774 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.227 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| I | [1684.00; 1697.00] |
|
|
| I | 1684.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1684.00 | NIST | |
| Tboil | 463.17 | K | Relay (1.0) Calculated Property |
| Tc | 648.32 | K | Relay (1.0) Calculated Property |
| Tfus | 264.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.63; 235.94] | J/mol×K | [455.54; 676.56] |
|
| Cp,gas | 177.63 | J/mol×K | 455.54 | Joback Calculated Property |
| Cp,gas | 188.51 | J/mol×K | 492.38 | Joback Calculated Property |
| Cp,gas | 198.93 | J/mol×K | 529.21 | Joback Calculated Property |
| Cp,gas | 208.89 | J/mol×K | 566.05 | Joback Calculated Property |
| Cp,gas | 218.38 | J/mol×K | 602.89 | Joback Calculated Property |
| Cp,gas | 227.40 | J/mol×K | 639.72 | Joback Calculated Property |
| Cp,gas | 235.94 | J/mol×K | 676.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-ethyl-(3H)-furan-2-one.
Sources
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