- InChI
- InChI=1S/C8H10O2/c1-2-7(9)6-8-4-3-5-10-8/h3-5H,2,6H2,1H3
- InChI Key
- GLDGYLKTISAERO-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- CCC(=O)Cc1ccco1
- Molecular Weight1
- 138.16
- CAS
- 4208-63-3
- Other Names
-
- 2-Butanone, 1-(2-furyl)-
- 1-(2'-Furyl)-2-butanone
- 1-(2-furanyl)-2-butanone
- 1-(2-Furfuryl)-1-propanone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4298 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -262.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 43.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 3337.25 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1575.00; 1591.00] |
|
|
| I | 1575.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1584.00 | NIST | |
| Tboil | 466.78 | K | Relay (1.0) Calculated Property |
| Tc | 665.43 | K | Relay (1.0) Calculated Property |
| Tfus | 281.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 1-(2-furanyl)-.
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
- McGowan Method
- NIST Webbook
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