- InChI
- InChI=1S/C22H40F3NO4Si3/c1-16(2)26(21(27)22(23,24)25)15-20(30-33(9,10)11)17-12-13-18(28-31(3,4)5)19(14-17)29-32(6,7)8/h12-14,16,20H,15H2,1-11H3
- InChI Key
- WYVLXNFPHNPSER-UHFFFAOYSA-N
- Formula
- C22H40F3NO4Si3
- SMILES
-
CC(C)N(CC(O[Si](C)(C)C)c1ccc(O
[Si](C)(C)C)c(O[Si](C)(C)C)c1) C(=O)C(F)(F)F - Molecular Weight1
- 523.81
- 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.
- 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 | 0.8317 | Relay (1.0) Calculated Property | |
| ΔfG° | -711.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1699.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.806 | Crippen Calculated Property | |
| Inp | 2056.00 | NIST | |
| Tboil | 602.74 | K | Relay (1.0) Calculated Property |
| Tc | 781.82 | K | Relay (1.0) Calculated Property |
| Tfus | 329.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.537 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isoprenaline, N-TFA-O-TMS.
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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