- InChI
- InChI=1S/C22H34F5NO3Si2/c1-19(2,3)32(7,8)28(18(30)21(23,24)22(25,26)27)16-13-11-12-15(14-16)17(29)31-33(9,10)20(4,5)6/h11-14H,1-10H3
- InChI Key
- DONNLSCKPIGFNG-UHFFFAOYSA-N
- Formula
- C22H34F5NO3Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
(N(C(=O)C(F)(F)C(F)(F)F)[Si](C )(C)C(C)(C)C)c1 - Molecular Weight1
- 511.67
- 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 | 0.8081 | Relay (... Calculated Property | |
| ΔfG° | -1026.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1896.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -6.28 | Relay (... Calculated Property | |
| logPoct/wat | 7.384 | Crippen Calculated Property | |
| Pc | 804.62 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2038.00; 2038.00] |
|
|
| Inp | 2038.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Tboil | 598.53 | K | Relay (... Calculated Property |
| Tc | 823.12 | K | Relay (... Calculated Property |
| Tfus | 342.26 | K | Relay (... Calculated Property |
| Vc | 1.382 | 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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