- InChI
- InChI=1S/C6H6O3/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2
- InChI Key
- RSZZMVPSHLKFQY-UHFFFAOYSA-N
- Formula
- C6H6O3
- SMILES
- O=C(CO)c1ccco1
- Molecular Weight1
- 126.11
- CAS
- 17678-19-2
- Other Names
-
- Ethanone, 1-(2-furanyl)-2-hydroxy-
- Ketone, 2-furyl hydroxymethyl
- 2-(Hydroxyacetyl)furan
- 2-Furyl hydroxymethyl ketone
- 2-(2'-Hydroxyacetyl)furan
- 2-(1-Oxo-2-hydroxyethyl)furan
- 1-(2furyl)-2-hydroxyethanone
- 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 | 0.6543 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -352.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.455 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 4537.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1056.00; 1088.00] |
|
|
| Inp | 1086.30 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | Outlier 1056.00 | NIST | |
| Inp | 1086.30 | NIST | |
| Inp | 1087.00 | NIST | |
| I | [1984.00; 2019.00] |
|
|
| I | 2001.00 | NIST | |
| I | 1989.00 | NIST | |
| I | 2019.00 | NIST | |
| I | 1984.00 | NIST | |
| I | 2001.00 | NIST | |
| I | 2019.00 | NIST | |
| I | 1989.00 | NIST | |
| Tboil | 501.92 | K | Relay (1.0) Calculated Property |
| Tc | 744.74 | K | Relay (1.0) Calculated Property |
| Tfus | 332.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Furyl hydroxymethyl ketone.
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.