- InChI
- InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
- InChI Key
- JRFZSUMZAUHNSL-UHFFFAOYSA-N
- Formula
- C17H14O4
- SMILES
-
COc1cc(OC)c2c(=O)cc(-c3ccccc3)
oc2c1 - Molecular Weight1
- 282.29
- CAS
- 21392-57-4
- Other Names
-
- Flavone, 5,7-dimethoxy-
- Chrysin - dimethyl ether
- Dimethylchrysin
- 5,7-Dimethoxyflavone, TMS
- 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 | 0.7227 | Relay (... Calculated Property | |
| ΔfG° | -126.66 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -297.48 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -5.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.477 | Crippen Calculated Property | |
| McVol | 206.890 | ml/mol | McGowan Calculated Property |
| Pc | 2076.45 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2588.00; 2588.00] |
|
|
| Inp | 2588.00 | NIST | |
| Inp | 2588.00 | NIST | |
| Tboil | 696.15 | K | Relay (... Calculated Property |
| Tc | 968.06 | K | Relay (... Calculated Property |
| Tfus | 419.02 | K | Relay (... Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1-Benzopyran-4-one, 5,7-dimethoxy-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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