- InChI
- InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
- InChI Key
- IRZVHDLBAYNPCT-UHFFFAOYSA-N
- Formula
- C16H12O4
- SMILES
-
COc1cc(O)c2c(=O)cc(-c3ccccc3)o
c2c1 - Molecular Weight1
- 268.26
- CAS
- 520-28-5
- Other Names
-
- Flavone, 5-hydroxy-7-methoxy-
- Tectochrysin
- 5-Hydroxy-7-methoxyflavone
- 7-Methoxy-5-hydroxyflavone
- 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 | 0.7751 | Relay (... Calculated Property | |
| ΔfG° | -166.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -326.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.39 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -5.06 | Relay (... Calculated Property | |
| logPoct/wat | 3.174 | Crippen Calculated Property | |
| McVol | 192.800 | ml/mol | McGowan Calculated Property |
| Pc | 3394.45 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2543.00; 2628.20] |
|
|
| Inp | 2543.00 | NIST | |
| Inp | 2628.20 | NIST | |
| Inp | 2543.00 | NIST | |
| Inp | 2628.20 | NIST | |
| Tboil | 680.00 | K | Relay (... Calculated Property |
| Tc | 994.78 | K | Relay (... Calculated Property |
| Tfus | 465.51 | K | Relay (... Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-phenyl-.
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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