- InChI
- InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
- InChI Key
- QAVITTVTXPZTSE-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- CC(=O)OCc1ccc(C=O)o1
- Molecular Weight1
- 168.15
- CAS
- 10551-58-3
- Other Names
-
- 2-Furancarboxaldehyde, 5-[(acetyloxy)methyl]-
- 5-Acetoxymethylfurfural
- 5-formylfurfuryl acetate
- 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 | 0.5674 | Relay (... Calculated Property | |
| ΔfG° | -383.17 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -552.92 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 69.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -1.51 | Relay (... Calculated Property | |
| logPoct/wat | 1.155 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 3722.45 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1304.10; 1304.10] |
|
|
| Inp | 1304.10 | NIST | |
| Inp | 1304.10 | NIST | |
| I | [2176.00; 2199.00] |
|
|
| I | 2199.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2194.00 | NIST | |
| Tboil | 521.18 | K | Relay (... Calculated Property |
| Tc | 722.66 | K | Relay (... Calculated Property |
| Tfus | 298.45 | K | Relay (... Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Acetoxymethyl-2-furaldehyde.
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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