- InChI
- InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
- InChI Key
- KBSVBCHYXYXDAG-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- CC(=O)c1cc(C)oc1C
- Molecular Weight1
- 138.16
- CAS
- 10599-70-9
- Other Names
-
- Ethanone, 1-(2,5-dimethyl-3-furanyl)-
- Furan, 3-acetyl-2,5-dimethyl
- 1-(2,5-dimethyl-3-furyl)ethan-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 | 0.4754 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -327.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.099 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 3436.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1095.00; 1103.00] |
|
|
| Inp | 1103.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1095.00 | NIST | |
| I | 1118.00 | NIST | |
| Tboil | 474.33 | K | Relay (1.0) Calculated Property |
| Tc | 682.58 | K | Relay (1.0) Calculated Property |
| Tfus | 281.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Acetyl-2,5-dimethyl furan.
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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