- InChI
- InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
- InChI Key
- SSXJHQZOHUYEGD-UHFFFAOYSA-N
- Formula
- C22H24O9
- SMILES
-
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c
(OC)c3c(=O)c2OC)cc1OC - Molecular Weight1
- 432.42
- CAS
- 1178-24-1
- 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 | 1.1478 | Relay (... Calculated Property | |
| ΔfG° | -606.93 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -894.48 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.57 | kJ/mol | Relay (... Calculated Property |
| IE | 7.50 | eV | Relay (... Calculated Property |
| log10WS | -4.00 | Relay (... Calculated Property | |
| logPoct/wat | 3.520 | Crippen Calculated Property | |
| McVol | 306.690 | ml/mol | McGowan Calculated Property |
| Pc | 803.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3342.40; 3375.00] |
|
|
| Inp | 3342.40 | NIST | |
| Inp | 3375.00 | NIST | |
| Tboil | 738.10 | K | Relay (... Calculated Property |
| Tc | 1047.47 | K | Relay (... Calculated Property |
| Tfus | 471.20 | K | Relay (... Calculated Property |
| Vc | 1.168 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,5,6,7,8,3',4'-Heptamethoxyflavone.
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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