- InChI
- InChI=1S/C22H56O6Si5/c1-23-17-19(25-30(5,6)7)21(27-32(11,12)13)22(28-33(14,15)16)20(26-31(8,9)10)18-24-29(2,3)4/h19-22H,17-18H2,1-16H3/t19-,20+,21+,22+/m1/s1
- InChI Key
- OAAGURLXCYYFBS-MLNNCEHLSA-N
- Formula
- C22H56O6Si5
- SMILES
-
COCC(O[Si](C)(C)C)C(O[Si](C)(C
)C)C(O[Si](C)(C)C)C(CO[Si](C)( C)C)O[Si](C)(C)C - Molecular Weight1
- 557.10
- 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 | 0.8089 | Relay (... Calculated Property | |
| ΔfG° | -464.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1698.74 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 6.365 | Crippen Calculated Property | |
| Pc | -55.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1777.00; 1781.00] |
|
|
| Inp | 1781.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Tboil | 628.31 | K | Relay (... Calculated Property |
| Tc | 741.22 | K | Relay (... Calculated Property |
| Tfus | 274.43 | K | Relay (... Calculated Property |
| Vc | 1.877 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Sorbitol, 6-methyl, 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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