- InChI
- InChI=1S/C29H48O7Si3/c1-18-23(35-38(7,8)9)28-17-27(18,36-39(10,11)12)15-13-19(28)29-16-14-20(34-37(4,5)6)26(2,25(31)33-29)22(29)21(28)24(30)32-3/h14,16,19-23H,1,13,15,17H2,2-12H3/t19?,20-,21+,22?,23-,26+,27-,28+,29+/m1/s1
- InChI Key
- ANNVQJIKEDDKCR-GOKBTLLCSA-N
- Formula
- C29H48O7Si3
- SMILES
-
C=C1C(O[Si](C)(C)C)C23CC1(O[Si
](C)(C)C)CCC2C12C=CC(O[Si](C)( C)C)C(C)(C(=O)O1)C2C3C(=O)OC - Molecular Weight1
- 592.94
- 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 | 0.7292 | Relay (... Calculated Property | |
| ΔfG° | -473.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1468.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -3.86 | Relay (... Calculated Property | |
| logPoct/wat | 5.664 | Crippen Calculated Property | |
| Pc | -332.21 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2814.00 | NIST | |
| Tboil | 683.93 | K | Relay (... Calculated Property |
| Tc | 981.80 | K | Relay (... Calculated Property |
| Tfus | 363.10 | K | Relay (... Calculated Property |
| Vc | 1.769 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 15-«beta»-Hydroxy-GA3, MeTMSi.
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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