- InChI
- InChI=1S/C27H69NO6Si6/c1-35(2,3)29-21-25(22-30-36(4,5)6)28(19-26(33-39(13,14)15)23-31-37(7,8)9)20-27(34-40(16,17)18)24-32-38(10,11)12/h25-27H,19-24H2,1-18H3
- InChI Key
- RLMOLVSJUHGUQN-UHFFFAOYSA-N
- Formula
- C27H69NO6Si6
- SMILES
-
C[Si](C)(C)OCC(CN(CC(CO[Si](C)
(C)C)O[Si](C)(C)C)C(CO[Si](C)( C)C)CO[Si](C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 672.35
- 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 | 1.0086 | Relay (... Calculated Property | |
| ΔfG° | -315.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1842.24 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -3.41 | Relay (... Calculated Property | |
| logPoct/wat | 7.503 | Crippen Calculated Property | |
| Pc | -601.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2230.00; 2230.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Tboil | 679.87 | K | Relay (... Calculated Property |
| Tc | 776.07 | K | Relay (... Calculated Property |
| Tfus | 261.79 | K | Relay (... Calculated Property |
| Vc | 2.311 | 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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