- InChI
- InChI=1S/C23H34O5Si/c1-13-11-22-12-14(13)7-8-15(22)23-16(28-29(4,5)6)9-10-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14?,15-,16+,17-,18-,21-,22+,23+/m1/s1
- InChI Key
- TWGBDXZOQBGSNX-IMIRDADBSA-N
- Formula
- C23H34O5Si
- SMILES
-
C=C1CC23CC1CCC2C12OC(=O)C(C)(C
CC1O[Si](C)(C)C)C2C3C(=O)OC - Molecular Weight1
- 418.60
- 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 | 0.5958 | Relay (... Calculated Property | |
| ΔfG° | -308.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -952.19 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.38 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -3.87 | Relay (... Calculated Property | |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| Pc | 608.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2537.00; 2538.00] |
|
|
| Inp | 2538.00 | NIST | |
| Inp | 2537.00 | NIST | |
| Tboil | 667.77 | K | Relay (... Calculated Property |
| Tc | 949.07 | K | Relay (... Calculated Property |
| Tfus | 374.14 | K | Relay (... Calculated Property |
| Vc | 1.206 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to GA119 (1«alpha»-hydroxy GA9), MeTMS.
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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