- InChI
- InChI=1S/C18H16O7/c1-22-16-11(19)10-12(20)17(23-2)14(9-7-5-4-6-8-9)25-15(10)18(24-3)13(16)21/h4-8,19,21H,1-3H3
- InChI Key
- IAAZHANNYDYGRX-UHFFFAOYSA-N
- Formula
- C18H16O7
- SMILES
-
COc1c(O)c(OC)c2oc(-c3ccccc3)c(
OC)c(=O)c2c1O - Molecular Weight1
- 344.32
- CAS
- 71479-92-0
- Other Names
-
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3,6,8-trimethoxy-2-phenyl-
- Araneol
- 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 | 1.0589 | Relay (1.0) Calculated Property | |
| ΔfG° | -483.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -652.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 140.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.897 | Crippen Calculated Property | |
| McVol | 238.590 | ml/mol | McGowan Calculated Property |
| Pc | 2052.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3289.30; 3289.30] |
|
|
| Inp | 3289.30 | NIST | |
| Inp | 3289.30 | NIST | |
| Tboil | 686.48 | K | Relay (1.0) Calculated Property |
| Tc | 1057.23 | K | Relay (1.0) Calculated Property |
| Tfus | 465.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Dihydroxy-3,6,8-trimethoxyflavone.
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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