- InChI
- InChI=1S/C27H50O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h18-20,22-24H,11-17H2,1-10H3/t19-,20-,22?,23?,24?,25?,26?,27-/m0/s1
- InChI Key
- ZDOMRCSGCJJBFH-QVPBXXOZSA-N
- Formula
- C27H50O2Si2
- SMILES
-
CC1CC2C=C(O[Si](C)(C)C)CCC2(C)
C2CCC3(C)C(CCC3(C)O[Si](C)(C)C )C12 - Molecular Weight1
- 462.86
- 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 | 0.5981 | Relay (... Calculated Property | |
| ΔfG° | 75.39 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -785.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -6.38 | Relay (... Calculated Property | |
| logPoct/wat | 8.231 | Crippen Calculated Property | |
| Pc | 164.10 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2574.00 | NIST | |
| Tboil | 657.69 | K | Relay (... Calculated Property |
| Tc | 914.72 | K | Relay (... Calculated Property |
| Tfus | 382.41 | K | Relay (... Calculated Property |
| Vc | 1.517 | 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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