![9,10-Anthracenedione, 3-methyl-1,6,8-tris[(trimethylsilyl)oxy]-](/cid/52-107-5/9-10-Anthracenedione-3-methyl-1-6-8-tris-trimethylsilyl-oxy.png "9,10-Anthracenedione, 3-methyl-1,6,8-tris[(trimethylsilyl)oxy]-")
- InChI
- InChI=1S/C24H34O5Si3/c1-15-11-17-21(19(12-15)28-31(5,6)7)24(26)22-18(23(17)25)13-16(27-30(2,3)4)14-20(22)29-32(8,9)10/h11-14H,1-10H3
- InChI Key
- AJHJEZGOTQJNSB-UHFFFAOYSA-N
- Formula
- C24H34O5Si3
- SMILES
-
Cc1cc(O[Si](C)(C)C)c2c(c1)C(=O
)c1cc(O[Si](C)(C)C)cc(O[Si](C) (C)C)c1C2=O - Molecular Weight1
- 486.78
- CAS
- 7336-74-5
- Other Names
-
- 3-Methyl-1,6,8-tris[(trimethylsilyl)oxy]anthra-9,10-quinone
- Anthraquinone, 1,3,8-trihydroxy-6-methyl, tris-TMS
- Anthraquinone, 1,6,8-tris-hydroxy-3-methyl, tris-TMS
- Emodin, tri-TMS
- Anthraquinone, 1,3,8-trihydroxy-6-methyl, TMS
- Emodin, TMS
- Anthraquinone, 1,6,8-tris-hydroxy-3-methyl, TMS
- Emodin, 3tms derivative
- 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.
- 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 | 0.9878 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1035.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.412 | Crippen Calculated Property | |
| Inp | [2883.00; 2883.00] |
|
|
| Inp | 2883.00 | NIST | |
| Inp | 2883.00 | NIST | |
| Tboil | 710.48 | K | Relay (1.0) Calculated Property |
| Tc | 1000.59 | K | Relay (1.0) Calculated Property |
| Tfus | 397.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.497 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Anthracenedione, 3-methyl-1,6,8-tris[(trimethylsilyl)oxy]-.
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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