- InChI
- InChI=1S/C23H40OSi/c1-22-11-10-20-18(19(22)8-9-21(22)24-25(3,4)5)7-6-17-13-15-12-16(15)14-23(17,20)2/h15-21H,6-14H2,1-5H3/t15-,16+,17-,18?,19?,20?,21-,22-,23-/m1/s1
- InChI Key
- LEXJGKBIZUTXSZ-SEBJTYQCSA-N
- Formula
- C23H40OSi
- SMILES
-
CC12CC3CC3CC1CCC1C2CCC2(C)C(O[
Si](C)(C)C)CCC12 - Molecular Weight1
- 360.65
- 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 | 0.5056 | Relay (... Calculated Property | |
| ΔfG° | 125.95 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -527.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -7.07 | Relay (... Calculated Property | |
| logPoct/wat | 6.495 | Crippen Calculated Property | |
| Pc | 582.61 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2464.00 | NIST | |
| Tboil | 645.20 | K | Relay (... Calculated Property |
| Tc | 905.31 | K | Relay (... Calculated Property |
| Tfus | 396.74 | K | Relay (... Calculated Property |
| Vc | 1.207 | 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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