- InChI
- InChI=1S/C9H10O2/c1-7(10)3-5-9-6-4-8(2)11-9/h3-6H,1-2H3/b5-3+
- InChI Key
- FKNBELIGEMXLJS-HWKANZROSA-N
- Formula
- C9H10O2
- SMILES
- CC(=O)C=Cc1ccc(C)o1
- Molecular Weight1
- 150.17
- Other Names
-
- 1-(5-methyl-2-furanyl)-1-buten-3-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).
- 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 | 0.4499 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -248.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.190 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3628.59 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1949.00; 1993.00] |
|
|
| I | 1990.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 1992.00 | NIST | |
| I | 1993.00 | NIST | |
| I | 1990.00 | NIST | |
| I | 1949.00 | NIST | |
| I | 1990.00 | NIST | |
| I | 1949.00 | NIST | |
| Tboil | 502.54 | K | Relay (1.0) Calculated Property |
| Tc | 692.48 | K | Relay (1.0) Calculated Property |
| Tfus | 303.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(5-methy1-2-furanyl)-1-buten-3-one.
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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