- InChI
- InChI=1S/C9H12O2/c1-7(10)3-5-9-6-4-8(2)11-9/h4,6H,3,5H2,1-2H3
- InChI Key
- CWKYCXPGVIFXOH-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- CC(=O)CCc1ccc(C)o1
- Molecular Weight1
- 152.19
- CAS
- 13679-56-6
- Other Names
-
- 4-(5-Methyl-2-furyl)-2-butanone
- Furan, 2-methyl-5-(3-oxobutyl)
- 1-(5-methyl-2-furanyl)-3-butanone
- 2-Butanone, 4-(5-methyl-2-furyl)
- 4-(5-Methyl-2-furanyl)-2-butanone
- 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 | 0.5009 | Relay (... Calculated Property | |
| ΔfG° | -104.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -309.64 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 56.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -0.58 | Relay (... Calculated Property | |
| logPoct/wat | 2.110 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 3147.25 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1160.00; 1160.00] |
|
|
| Inp | 1160.00 | NIST | |
| Inp | 1160.00 | NIST | |
| I | [1695.00; 1745.00] |
|
|
| I | 1695.00 | NIST | |
| I | 1712.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1709.00 | NIST | |
| I | Outlier 1745.00 | NIST | |
| I | Outlier 1745.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1709.00 | NIST | |
| Tboil | 494.60 | K | Relay (... Calculated Property |
| Tc | 682.58 | K | Relay (... Calculated Property |
| Tfus | 276.95 | K | Relay (... Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-(5-methyl-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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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.