- InChI
- InChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17-,18-,19+,20+,21-,22+
- InChI Key
- IKOVCQNLJNHSBD-DPJYLNSSSA-N
- Formula
- C22H54O6Si5
- SMILES
-
COC1C(O[Si](C)(C)C)C(O[Si](C)(
C)C)C(O[Si](C)(C)C)C(O[Si](C)( C)C)C1O[Si](C)(C)C - Molecular Weight1
- 555.09
- 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 | 0.7271 | Relay (... Calculated Property | |
| ΔfG° | -455.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1659.67 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.75 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -4.29 | Relay (... Calculated Property | |
| logPoct/wat | 6.115 | Crippen Calculated Property | |
| Pc | -131.16 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2008.00; 2025.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Tboil | 634.62 | K | Relay (... Calculated Property |
| Tc | 782.09 | K | Relay (... Calculated Property |
| Tfus | 316.72 | K | Relay (... Calculated Property |
| Vc | 1.832 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Sequoyitol, 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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