- InChI
- InChI=1S/C37H68O5Si3/c1-25(16-15-17-26(2)35(38)39-5)29-18-19-30-34-31(24-33(37(29,30)4)42-45(12,13)14)36(3)21-20-28(40-43(6,7)8)22-27(36)23-32(34)41-44(9,10)11/h20,22,25-26,29-34H,15-19,21,23-24H2,1-14H3/t25?,26?,29-,30?,31?,32-,33+,34?,36+,37-/m0/s1
- InChI Key
- RNIHHRKAQHUNGQ-MJOMMUNASA-N
- Formula
- C37H68O5Si3
- SMILES
-
COC(=O)C(C)CCCC(C)C1CCC2C3C(O[
Si](C)(C)C)CC4=CC(O[Si](C)(C)C )=CCC4(C)C3CC(O[Si](C)(C)C)C12 C - Molecular Weight1
- 677.19
- 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 | 0.9060 | Relay (... Calculated Property | |
| ΔfG° | -117.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1390.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 133.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -7.53 | Relay (... Calculated Property | |
| logPoct/wat | 10.186 | Crippen Calculated Property | |
| Pc | -1001.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3595.00 | NIST | |
| Tboil | 728.02 | K | Relay (... Calculated Property |
| Tc | 1014.03 | K | Relay (... Calculated Property |
| Tfus | 379.29 | K | Relay (... Calculated Property |
| Vc | 2.125 | 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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