- InChI
- InChI=1S/C23H41NO3Si/c1-22-12-11-16(27-28(4,5)6)13-15(22)7-8-17-18-9-10-20(24-26-3)23(18,2)14-19(25)21(17)22/h15-19,21,25H,7-14H2,1-6H3/t15-,16-,17?,18?,19+,21?,22+,23+/m0/s1
- InChI Key
- KQXABTYAZHDPLM-OQAKSAAGSA-N
- Formula
- C23H41NO3Si
- SMILES
-
CON=C1CCC2C3CCC4CC(O[Si](C)(C)
C)CCC4(C)C3C(O)CC12C - Molecular Weight1
- 407.66
- 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 | 0.7086 | Relay (... Calculated Property | |
| ΔfG° | 52.77 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -686.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -4.44 | Relay (... Calculated Property | |
| logPoct/wat | 5.222 | Crippen Calculated Property | |
| Pc | 537.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2618.00 | NIST | |
| Tboil | 671.16 | K | Relay (... Calculated Property |
| Tc | 943.75 | K | Relay (... Calculated Property |
| Tfus | 435.05 | K | Relay (... Calculated Property |
| Vc | 1.245 | 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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