- InChI
- InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18?,19-,20+,21+/m1/s1
- InChI Key
- PPTMWEDTYQRQBC-IWORHSITSA-N
- Formula
- C21H52O6Si5
- SMILES
-
C[Si](C)(C)OCC(O[Si](C)(C)C)C(
O[Si](C)(C)C)C(O[Si](C)(C)C)C( C=O)O[Si](C)(C)C - Molecular Weight1
- 541.06
- 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 | 0.7856 | Relay (1.0) Calculated Property | |
| ΔfG° | -486.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1665.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.917 | Crippen Calculated Property | |
| Pc | 115.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1924.00; 1924.00] |
|
|
| Inp | 1924.00 | NIST | |
| Inp | 1924.00 | NIST | |
| Tboil | 615.86 | K | Relay (1.0) Calculated Property |
| Tc | 754.46 | K | Relay (1.0) Calculated Property |
| Tfus | 302.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.798 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L(-)-Sorbose, aldol, 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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