- InChI
- InChI=1S/C10H8O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
- InChI Key
- PXPNSQMWVPLERM-UHFFFAOYSA-N
- Formula
- C10H8O2
- SMILES
- Cc1cc(=O)c2ccccc2o1
- Molecular Weight1
- 160.17
- CAS
- 5751-48-4
- Other Names
-
- Chromone, 2-methyl-
- 2-Methyl-4-chromone
- 2-Methylchromone
- 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.
- 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 | 0.4803 | Relay (... Calculated Property | |
| ΔfG° | -54.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -171.40 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -2.04 | Relay (... Calculated Property | |
| logPoct/wat | 2.101 | Crippen Calculated Property | |
| McVol | 120.280 | ml/mol | McGowan Calculated Property |
| Pc | 3811.64 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1318.00; 1318.00] |
|
|
| Inp | 1318.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Tboil | 563.71 | K | Relay (... Calculated Property |
| Tc | 797.28 | K | Relay (... Calculated Property |
| Tfus | 359.33 | K | Relay (... Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![Chromone, 6-methoxy-2-[2-(4-methoxyphenyl)ethyl].](data:image/png;base64,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)
Find more compounds similar to 4H-1-Benzopyran-4-one, 2-methyl-.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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