- InChI
- InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
- InChI Key
- BJBUTJQYZDYRMJ-UHFFFAOYSA-N
- Formula
- C17H14O6
- SMILES
-
COc1cc(O)c2c(=O)c(OC)c(-c3ccc(
O)cc3)oc2c1 - Molecular Weight1
- 314.29
- CAS
- 3301-49-3
- Other Names
-
- Flavone, 4',5-dihydroxy-3,7-dimethoxy-
- Jaranol
- Kaempferol 3,7-dimethyl ether
- Kumatakenin
- 3,7-Di-O-methyl kaempferol
- 4',5-Dihydroxy-3,7-dimethoxyflavone
- Kaempferol, 3,7-dimethyl
- 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-chromen-4-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).
- 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 | 0.9786 | Relay (... Calculated Property | |
| ΔfG° | -394.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -580.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 145.62 | kJ/mol | Relay (... Calculated Property |
| IE | 7.77 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 2.888 | Crippen Calculated Property | |
| McVol | 218.630 | ml/mol | McGowan Calculated Property |
| Pc | 2927.75 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3067.20; 3067.20] |
|
|
| Inp | 3067.20 | NIST | |
| Inp | 3067.20 | NIST | |
| Tboil | 703.43 | K | Relay (... Calculated Property |
| Tc | 1052.13 | K | Relay (... Calculated Property |
| Tfus | 478.97 | K | Relay (... Calculated Property |
| Vc | 0.797 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-.
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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