- InChI
- InChI=1S/C7H8O2/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
- InChI Key
- IQOJTGSBENZIOL-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- CC(=O)Cc1ccco1
- Molecular Weight1
- 124.14
- CAS
- 6975-60-6
- Other Names
-
- 1-(2-furanyl)-2-propanone
- 2-furfuryl methyl ketone
- Furfuryl methyl ketone
- 1-(2-furyl)propan-2-one
- (Furyl-2)-1-propanone-2
- 2-furylacetone
- 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 | 0.4102 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -236.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.411 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 3890.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [919.00; 954.00] |
|
|
| Inp | 952.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | Outlier 919.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| I | [1482.00; 1548.00] |
|
|
| I | 1524.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1513.00 | NIST | |
| I | 1512.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1546.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1522.00 | NIST | |
| I | 1546.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1512.00 | NIST | |
| I | 1548.00 | NIST | |
| Tboil | 453.79 | K | Relay (1.0) Calculated Property |
| Tc | 660.98 | K | Relay (1.0) Calculated Property |
| Tfus | 253.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-furyl)-2-propanone.
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.