- InChI
- InChI=1S/C7H6O3/c1-5(9)7-3-2-6(4-8)10-7/h2-4H,1H3
- InChI Key
- COGVGDXHVCDEAN-UHFFFAOYSA-N
- Formula
- C7H6O3
- SMILES
- CC(=O)c1ccc(C=O)o1
- Molecular Weight1
- 138.12
- 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.
- 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 | 0.5104 | Relay (... Calculated Property | |
| ΔfG° | -256.91 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -360.19 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.43 | eV | Relay (... Calculated Property |
| log10WS | -1.53 | Relay (... Calculated Property | |
| logPoct/wat | 1.295 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4565.78 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1116.00; 1118.00] |
|
|
| Inp | 1118.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1118.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Tboil | 498.16 | K | Relay (... Calculated Property |
| Tc | 734.74 | K | Relay (... Calculated Property |
| Tfus | 336.80 | K | Relay (... Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![Ethanone, 1-[5-(2-furanylmethyl)-2-furanyl]-.](data:image/png;base64,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)
Find more compounds similar to 2-acetyl-5-formylfuran.
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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