- InChI
- InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
- InChI Key
- GPQLHGCIAUEJQK-UHFFFAOYSA-N
- Formula
- C17H14O6
- SMILES
-
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(
O)cc3o2)cc1 - Molecular Weight1
- 314.29
- CAS
- 520-12-7
- Other Names
-
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-
- Flavone, 5,7-dihydroxy-4',6-dimethoxy-
- Pectolinarigenin
- 5,7-Dihydroxy-4',6-dimethoxyflavone
- 5,7-Dihydroxy-6,4'-dimethoxyflavone
- 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4-benzopyrone
- Pectolinargenin
- 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 | 0.9930 | Relay (1.0) Calculated Property | |
| ΔfG° | -391.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -632.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 147.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.888 | Crippen Calculated Property | |
| McVol | 218.630 | ml/mol | McGowan Calculated Property |
| Pc | 3061.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3038.90; 3038.90] |
|
|
| Inp | 3038.90 | NIST | |
| Inp | 3038.90 | NIST | |
| Tboil | 702.65 | K | Relay (1.0) Calculated Property |
| Tc | 1045.73 | K | Relay (1.0) Calculated Property |
| Tfus | 484.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pectolinaringenin.
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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