- InChI
- InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
- InChI Key
- ULSUXBXHSYSGDT-UHFFFAOYSA-N
- Formula
- C20H20O7
- SMILES
-
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c
(OC)c(OC)c3o2)cc1 - Molecular Weight1
- 372.37
- CAS
- 481-53-8
- Other Names
-
- tangeritin
- Flavone, 5,6,7,8,4'-pentamethoxy
- 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone
- 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 | 0.9890 | Relay (1.0) Calculated Property | |
| ΔfG° | -419.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -661.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.503 | Crippen Calculated Property | |
| McVol | 266.770 | ml/mol | McGowan Calculated Property |
| Pc | 1191.92 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3162.90; 3198.00] |
|
|
| Inp | 3162.90 | NIST | |
| Inp | 3184.00 | NIST | |
| Inp | 3198.00 | NIST | |
| Inp | 3198.00 | NIST | |
| Tboil | 730.42 | K | Relay (1.0) Calculated Property |
| Tc | 1019.16 | K | Relay (1.0) Calculated Property |
| Tfus | 458.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.008 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tangeretin.
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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