- InChI
- InChI=1S/C40H76O3Si3/c1-30(41-45(36(2,3)4)25-13-14-26-45)40(43-44(10,11)12)24-21-35-33-18-17-31-29-32(42-46(37(5,6)7)27-15-16-28-46)19-22-38(31,8)34(33)20-23-39(35,40)9/h30-35H,13-29H2,1-12H3/t30-,31+,32+,33?,34?,35?,38?,39?,40-/m1/s1
- InChI Key
- UVPUDHBDUKBILI-KMUYCWQSSA-N
- Formula
- C40H76O3Si3
- SMILES
-
CC(O[Si]1(C(C)(C)C)CCCC1)C1(O[
Si](C)(C)C)CCC2C3CCC4CC(O[Si]5 (C(C)(C)C)CCCC5)CCC4(C)C3CCC21 C - Molecular Weight1
- 689.29
- 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 | 0.8303 | Relay (... Calculated Property | |
| ΔfG° | 80.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1197.43 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -8.43 | Relay (... Calculated Property | |
| logPoct/wat | 12.489 | Crippen Calculated Property | |
| Pc | -721.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3988.00; 3988.00] |
|
|
| Inp | 3988.00 | NIST | |
| Inp | 3988.00 | NIST | |
| Tboil | 797.45 | K | Relay (... Calculated Property |
| Tc | 1099.67 | K | Relay (... Calculated Property |
| Tfus | 451.10 | K | Relay (... Calculated Property |
| Vc | 2.298 | 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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