- InChI
- InChI=1S/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3
- InChI Key
- GGJUJWSDTDBTLX-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- CC(=O)CCc1ccco1
- Molecular Weight1
- 138.16
- CAS
- 699-17-2
- Other Names
-
- 1-(2-furyl)-3-butanone
- 1-(2-Furyl)butan-3-one
- 2-Butanone, 4-(2-furyl)-
- 3-Butanone, 1-(2-furanyl)
- 4-(2-furyl)butan-2-one
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4586 | Relay (... Calculated Property | |
| ΔfG° | -83.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -243.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 53.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -0.22 | Relay (... Calculated Property | |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 3495.76 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1048.00; 1089.00] |
|
|
| Inp | 1089.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1059.00 | NIST | |
| I | [1625.00; 1651.00] |
|
|
| I | 1625.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1640.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1636.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1640.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1625.00 | NIST | |
| Tboil | 475.76 | K | Relay (... Calculated Property |
| Tc | 671.49 | K | Relay (... Calculated Property |
| Tfus | 262.54 | K | Relay (... Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-furanyl)-3-butanone.
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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