- InChI
- InChI=1S/C9H12O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7H,2,5-6H2,1H3
- InChI Key
- AMBBSXGLKUJWPV-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- CCC(=O)CCc1ccco1
- Molecular Weight1
- 152.19
- 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 | 0.4749 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -266.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.191 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 3060.33 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1701.00; 1701.00] |
|
|
| I | 1701.00 | NIST | |
| I | 1701.00 | NIST | |
| I | 1701.00 | NIST | |
| Tboil | 484.85 | K | Relay (1.0) Calculated Property |
| Tc | 677.72 | K | Relay (1.0) Calculated Property |
| Tfus | 290.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-furanyl)-3-pentanone.
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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