- InChI
- InChI=1S/C23H41NO5Si/c1-9-17(4)21(25)28-18(5)23(16(2)3,29-30(6,7)8)22(26)27-15-19-12-14-24-13-10-11-20(19)24/h9,16,18-20H,10-15H2,1-8H3/b17-9+/t18?,19-,20-,23+/m1/s1
- InChI Key
- HMRJKPOSMZQFJQ-WSBWIDHSSA-N
- Formula
- C23H41NO5Si
- SMILES
-
CC=C(C)C(=O)OC(C)C(O[Si](C)(C)
C)(C(=O)OCC1CCN2CCCC12)C(C)C - Molecular Weight1
- 439.66
- 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 | 0.7957 | Relay (1.0) Calculated Property | |
| ΔfG° | -346.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1129.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| Pc | 431.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2475.00 | NIST | |
| Tboil | 642.39 | K | Relay (1.0) Calculated Property |
| Tc | 867.99 | K | Relay (1.0) Calculated Property |
| Tfus | 371.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.327 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-tiglyl-trachelanthamine, 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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