- InChI
- InChI=1S/C18H44O5Si4/c1-24(2,3)20-15-13-19-14-16(21-25(4,5)6)18(23-27(10,11)12)17(15)22-26(7,8)9/h15-18H,13-14H2,1-12H3
- InChI Key
- IKGHVFJGAOMATA-UHFFFAOYSA-N
- Formula
- C18H44O5Si4
- SMILES
-
C[Si](C)(C)OC1COCC(O[Si](C)(C)
C)C(O[Si](C)(C)C)C1O[Si](C)(C) C - Molecular Weight1
- 452.88
- 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 | 0.6462 | Relay (... Calculated Property | |
| ΔfG° | -358.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1383.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.50 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -3.46 | Relay (... Calculated Property | |
| logPoct/wat | 4.897 | Crippen Calculated Property | |
| Pc | 358.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1813.00; 1813.00] |
|
|
| Inp | 1813.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Tboil | 614.44 | K | Relay (... Calculated Property |
| Tc | 762.93 | K | Relay (... Calculated Property |
| Tfus | 308.79 | K | Relay (... Calculated Property |
| Vc | 1.489 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Anhydroiditol, 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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