- InChI
- InChI=1S/C26H46O2Si2/c1-24-15-12-20(27-29(4,5)6)18-19(24)10-11-21-22(24)13-16-25(2)23(21)14-17-26(25,3)28-30(7,8)9/h12,15,18-19,21-23H,10-11,13-14,16-17H2,1-9H3/t19-,21?,22?,23?,24?,25?,26-/m0/s1
- InChI Key
- LBFJZCFDESSUPM-JESIWLCVSA-N
- Formula
- C26H46O2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=CC1CCC1
C2CCC2(C)C1CCC2(C)O[Si](C)(C)C - Molecular Weight1
- 446.81
- 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 | 0.5649 | Relay (... Calculated Property | |
| ΔfG° | 114.35 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -683.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -6.33 | Relay (... Calculated Property | |
| logPoct/wat | 7.761 | Crippen Calculated Property | |
| Pc | 219.34 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2488.00 | NIST | |
| Tboil | 646.04 | K | Relay (... Calculated Property |
| Tc | 909.11 | K | Relay (... Calculated Property |
| Tfus | 391.52 | K | Relay (... Calculated Property |
| Vc | 1.443 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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