- InChI
- InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)17-20(26-5)16(21)15-13(27-17)10-14(23-2)18(24-3)19(15)25-4/h6-10H,1-5H3
- InChI Key
- OWNRDLYPIYHOQK-UHFFFAOYSA-N
- Formula
- C20H20O7
- SMILES
-
COc1ccc(-c2oc3cc(OC)c(OC)c(OC)
c3c(=O)c2OC)cc1 - Molecular Weight1
- 372.37
- CAS
- 4472-73-5
- 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).
- 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 | 0.9895 | Relay (1.0) Calculated Property | |
| ΔfG° | -412.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -655.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.503 | Crippen Calculated Property | |
| McVol | 266.770 | ml/mol | McGowan Calculated Property |
| Pc | 1180.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 724.39 | K | Relay (1.0) Calculated Property |
| Tc | 1016.36 | K | Relay (1.0) Calculated Property |
| Tfus | 443.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.008 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,5,6,7-Tetramethoxy-2-(4-methoxyphenyl)-4h-chromen-4-one.
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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