- InChI
- InChI=1S/C8H10O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
- InChI Key
- BXLPZYAVKVFXEO-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- CCC(=O)c1ccc(C)o1
- Molecular Weight1
- 138.16
- CAS
- 10599-69-6
- Other Names
-
- 2-Methyl-5-propionylfuran
- 1-Propanone, 1-(5-methyl-2-furyl)-
- 5-Methyl-2-propionylfuran
- 1-(5-Methyl-2-furyl)-1-propanone
- 1-(5-Methyl-2-furanyl)-1-propanone
- Furan, 2-methyl-5-propionyl
- Furan, 5-methyl-2-propionyl
- 5-Methyl-5-propionylfuran
- 1-(5-methyl-2-furyl)propan-1-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 | 0.4744 | Relay (... Calculated Property | |
| ΔfG° | -150.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -314.57 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 57.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -1.77 | Relay (... Calculated Property | |
| logPoct/wat | 2.181 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 3124.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1098.00; 1151.00] |
|
|
| Inp | 1099.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1106.00 | NIST | |
| I | [1663.00; 1700.00] |
|
|
| I | 1686.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1670.00 | NIST | |
| I | Outlier 1700.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1672.00 | NIST | |
| Tboil | 474.34 | K | Relay (... Calculated Property |
| Tc | 662.51 | K | Relay (... Calculated Property |
| Tfus | 306.00 | K | Relay (... Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 1-(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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.