- InChI
- InChI=1S/C9H12O2/c1-3-4-8(10)9-6-5-7(2)11-9/h5-6H,3-4H2,1-2H3
- InChI Key
- IFHKZUYQKMDHIN-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- CCCC(=O)c1ccc(C)o1
- Molecular Weight1
- 152.19
- CAS
- 90673-55-5
- Other Names
-
- Furan, 2-butanoyl-5-methyl
- 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 | 0.5138 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -326.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.571 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 2801.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1192.00; 1192.00] |
|
|
| Inp | 1192.00 | NIST | |
| Inp | 1192.00 | NIST | |
| I | [1748.00; 1748.00] |
|
|
| I | 1748.00 | NIST | |
| I | 1748.00 | NIST | |
| Tboil | 486.82 | K | Relay (1.0) Calculated Property |
| Tc | 673.91 | K | Relay (1.0) Calculated Property |
| Tfus | 285.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanoyl-5-methylfuran.
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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