- InChI
- InChI=1S/C24H34O5Si3/c1-30(2,3)27-18-12-10-17(11-13-18)21-16-20(25)24-22(26-21)14-19(28-31(4,5)6)15-23(24)29-32(7,8)9/h10-16H,1-9H3
- InChI Key
- CCZQELBLBRCVLH-UHFFFAOYSA-N
- Formula
- C24H34O5Si3
- SMILES
-
C[Si](C)(C)Oc1ccc(-c2cc(=O)c3c
(O[Si](C)(C)C)cc(O[Si](C)(C)C) cc3o2)cc1 - Molecular Weight1
- 486.78
- Other Names
-
- APIGENIN 3TMS
- Flavone, 4',5,7-trihydroxy, TMS
- 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.
- 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 | 0.9478 | Relay (... Calculated Property | |
| ΔfG° | -233.32 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -950.40 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.75 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -6.42 | Relay (... Calculated Property | |
| logPoct/wat | 7.101 | Crippen Calculated Property | |
| Pc | 65.20 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3128.00; 3142.20] |
|
|
| Inp | 3142.20 | NIST | |
| Inp | 3137.50 | NIST | |
| Inp | 3128.00 | NIST | |
| Inp | 3128.00 | NIST | |
| Inp | 3137.50 | NIST | |
| Inp | 3142.20 | NIST | |
| Tboil | 735.21 | K | Relay (... Calculated Property |
| Tc | 990.85 | K | Relay (... Calculated Property |
| Tfus | 419.67 | K | Relay (... Calculated Property |
| Vc | 1.493 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Apigenin, TMS.
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
- NIST Webbook
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