- InChI
- InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3
- InChI Key
- QCDYOIZVELGOLZ-UHFFFAOYSA-N
- Formula
- C18H16O6
- SMILES
-
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(
OC)cc3o2)cc1 - Molecular Weight1
- 328.32
- CAS
- 19103-54-9
- Other Names
-
- 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
- Salvigenin
- 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 | 0.9586 | Relay (... Calculated Property | |
| ΔfG° | -361.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -612.71 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 140.21 | kJ/mol | Relay (... Calculated Property |
| IE | 7.71 | eV | Relay (... Calculated Property |
| log10WS | -4.44 | Relay (... Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 232.720 | ml/mol | McGowan Calculated Property |
| Pc | 2054.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3232.60 | NIST | |
| Tboil | 706.32 | K | Relay (... Calculated Property |
| Tc | 1022.39 | K | Relay (... Calculated Property |
| Tfus | 469.61 | K | Relay (... Calculated Property |
| Vc | 0.866 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-.
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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