- InChI
- InChI=1S/C8H10O3/c1-6-3-4-8(11-6)5-10-7(2)9/h3-4H,5H2,1-2H3
- InChI Key
- WCAYUXKMYBPHIN-UHFFFAOYSA-N
- Formula
- C8H10O3
- SMILES
- CC(=O)OCc1ccc(C)o1
- Molecular Weight1
- 154.16
- CAS
- 18091-24-2
- Other Names
-
- 5-formyl-2-furfurylethanoate
- 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).
- 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 | 0.5066 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -487.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.651 | Crippen Calculated Property | |
| McVol | 117.430 | ml/mol | McGowan Calculated Property |
| Pc | 3255.71 | kPa | Relay (1.0-beta) Calculated Property |
| I | [2194.00; 2194.00] |
|
|
| I | 2194.00 | NIST | |
| I | 2194.00 | NIST | |
| Tboil | 474.75 | K | Relay (1.0) Calculated Property |
| Tc | 667.89 | K | Relay (1.0) Calculated Property |
| Tfus | 265.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methylfurfuryl acetate.
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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